data_CF0
# 
_chem_comp.id                                    CF0 
_chem_comp.name                                  fluoromethane 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C H3 F" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "Fluoro methyl group" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2009-01-06 
_chem_comp.pdbx_modified_date                    2023-11-03 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        34.033 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CF0 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2f4o 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
CF0 C1 C1 C 0 1 N N N Y Y N -0.000 0.000  -0.000 0.749  0.000  -0.000 C1 CF0 1 
CF0 F1 F1 F 0 1 N Y N Y Y N 1.371  -0.000 0.000  -0.650 -0.000 0.000  F1 CF0 2 
CF0 H1 H1 H 0 1 N N N Y Y N -0.363 0.000  1.028  1.112  -0.010 1.028  H1 CF0 3 
CF0 H2 H2 H 0 1 N N N Y Y N -0.363 0.890  -0.514 1.112  -0.885 -0.522 H2 CF0 4 
CF0 H3 H3 H 0 1 N N N Y Y N -0.363 -0.890 -0.514 1.112  0.895  -0.505 H3 CF0 5 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
CF0 C1 F1 SING N N 1 
CF0 C1 H1 SING N N 2 
CF0 C1 H2 SING N N 3 
CF0 C1 H3 SING N N 4 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
CF0 SMILES           ACDLabs              10.04 FC                          
CF0 SMILES_CANONICAL CACTVS               3.341 CF                          
CF0 SMILES           CACTVS               3.341 CF                          
CF0 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CF                          
CF0 SMILES           "OpenEye OEToolkits" 1.5.0 CF                          
CF0 InChI            InChI                1.03  InChI=1S/CH3F/c1-2/h1H3     
CF0 InChIKey         InChI                1.03  NBVXSUQYWXRMNV-UHFFFAOYSA-N 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
CF0 "SYSTEMATIC NAME" ACDLabs              10.04 fluoromethane 
CF0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 fluoromethane 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
CF0 "Create component"  2009-01-06 RCSB 
CF0 "Modify descriptor" 2011-06-04 RCSB 
CF0 "Modify synonyms"   2020-06-05 PDBE 
CF0 "Modify backbone"   2023-11-03 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      CF0 
_pdbx_chem_comp_synonyms.name         "Fluoro methyl group" 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
#