6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid

C10H6F4N2O2 — CID 113398057

IUPAC6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(CC(F)(F)F)[nH]c2cc1F
InChIInChI=1S/C10H6F4N2O2/c11-5-2-7-6(1-4(5)9(17)18)15-8(16-7)3-10(12,13)14/h1-2H,3H2,(H,15,16)(H,17,18)
InChIKeyPQRCQUBYMWHGDP-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.51
Rot. Bonds2

About 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid

6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid (PubChem CID 113398057) has the molecular formula C10H6F4N2O2 and a molecular weight of 262.16 g/mol. Its IUPAC name is 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
PubChem CID113398057
Molecular FormulaC10H6F4N2O2
Molecular Weight262.16 g/mol
Exact Mass262.04
IUPAC Name6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(CC(F)(F)F)[nH]c2cc1F
InChIInChI=1S/C10H6F4N2O2/c11-5-2-7-6(1-4(5)9(17)18)15-8(16-7)3-10(12,13)14/h1-2H,3H2,(H,15,16)(H,17,18)
InChIKeyPQRCQUBYMWHGDP-UHFFFAOYSA-N
XLogP2.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
6-fluoro-2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic acid
CID 113398072
2-(2,5-dichlorothiophen-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107963408
4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde
CID 170588292
5-(5,6-difluoro-1H-benzimidazol-2-yl)pentanoic acid
CID 43470849
2-(3-bromo-4-chlorophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 107989457
6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
CID 130164627
2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
CID 165456701
3-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 59682305
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208877
5-chloro-6-fluoro-1H-benzimidazole-2-carboxylic acid
CID 68636952
3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872462

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid (CID 113398057) is 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2nc(CC(F)(F)F)[nH]c2cc1F.
What is the InChIKey of 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid?
The InChIKey is PQRCQUBYMWHGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O2/c11-5-2-7-6(1-4(5)9(17)18)15-8(16-7)3-10(12,13)14/h1-2H,3H2,(H,15,16)(H,17,18).
What are the key properties of 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid?
6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid has a molecular weight of 262.16 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 113398057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).