2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole

C11H7ClF6N2 — CID 106295132

IUPAC2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
SMILESFc1ccc2nc(CCl)n(CC(F)(F)C(F)F)c2c1F
InChIInChI=1S/C11H7ClF6N2/c12-3-7-19-6-2-1-5(13)8(14)9(6)20(7)4-11(17,18)10(15)16/h1-2,10H,3-4H2
InChIKeyGSZKDADLXIWGBW-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.95
Rot. Bonds4

About 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole

2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole (PubChem CID 106295132) has the molecular formula C11H7ClF6N2 and a molecular weight of 316.63 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
PubChem CID106295132
Molecular FormulaC11H7ClF6N2
Molecular Weight316.63 g/mol
Exact Mass316.02
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
SMILESFc1ccc2nc(CCl)n(CC(F)(F)C(F)F)c2c1F
InChIInChI=1S/C11H7ClF6N2/c12-3-7-19-6-2-1-5(13)8(14)9(6)20(7)4-11(17,18)10(15)16/h1-2,10H,3-4H2
InChIKeyGSZKDADLXIWGBW-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 62533385
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 62533402
2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
CID 63004461
2-(chloromethyl)-6,7-difluoro-1-octylbenzimidazole
CID 115569242
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
2-(2-chloroethyl)-1-(2,2-dimethylbutyl)-6,7-difluorobenzimidazole
CID 103463023
4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
CID 62533395
2-(chloromethyl)-6,7-difluoro-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 62993069
2-(chloromethyl)-1-(2-ethylhexyl)-6,7-difluorobenzimidazole
CID 107817185
2-(2-chloroethyl)-6,7-difluoro-1-(2-methoxy-2-methylpropyl)benzimidazole
CID 104763510
2-(chloromethyl)-6,7-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62533886

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole (CID 106295132) is 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole is Fc1ccc2nc(CCl)n(CC(F)(F)C(F)F)c2c1F.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
The InChIKey is GSZKDADLXIWGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF6N2/c12-3-7-19-6-2-1-5(13)8(14)9(6)20(7)4-11(17,18)10(15)16/h1-2,10H,3-4H2.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole has a molecular weight of 316.63 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole is sourced from PubChem (CID 106295132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).