1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone

C11H8F4N2O — CID 83428808

IUPAC1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(F)ccc2n1CC(F)(F)F
InChIInChI=1S/C11H8F4N2O/c1-6(18)10-16-8-4-7(12)2-3-9(8)17(10)5-11(13,14)15/h2-4H,5H2,1H3
InChIKeyQUZCCKDOUBZGLH-UHFFFAOYSA-N
MW260.19 g/mol
LogP2.94
Rot. Bonds2

About 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone

1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone (PubChem CID 83428808) has the molecular formula C11H8F4N2O and a molecular weight of 260.19 g/mol. Its IUPAC name is 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone
PubChem CID83428808
Molecular FormulaC11H8F4N2O
Molecular Weight260.19 g/mol
Exact Mass260.06
IUPAC Name1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(F)ccc2n1CC(F)(F)F
InChIInChI=1S/C11H8F4N2O/c1-6(18)10-16-8-4-7(12)2-3-9(8)17(10)5-11(13,14)15/h2-4H,5H2,1H3
InChIKeyQUZCCKDOUBZGLH-UHFFFAOYSA-N
XLogP2.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
2-chloro-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 84804304
2-(chloromethyl)-5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 43660106
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
CID 79872999
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
1,2-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 87956901
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone?
The IUPAC name of 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone (CID 83428808) is 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone is CC(=O)c1nc2cc(F)ccc2n1CC(F)(F)F.
What is the InChIKey of 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone?
The InChIKey is QUZCCKDOUBZGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O/c1-6(18)10-16-8-4-7(12)2-3-9(8)17(10)5-11(13,14)15/h2-4H,5H2,1H3.
What are the key properties of 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone?
1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone has a molecular weight of 260.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanone is sourced from PubChem (CID 83428808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).