2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole

C9H6F4N2O — CID 683205

IUPAC2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole
SMILESF[C@H](OC(F)(F)F)c1nc2ccccc2[nH]1
InChIInChI=1S/C9H6F4N2O/c10-7(16-9(11,12)13)8-14-5-3-1-2-4-6(5)15-8/h1-4,7H,(H,14,15)/t7-/m1/s1
InChIKeyWODXDGLRIWEHDA-SSDOTTSWSA-N
MW234.15 g/mol
LogP3.07
Rot. Bonds2

About 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole

2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole (PubChem CID 683205) has the molecular formula C9H6F4N2O and a molecular weight of 234.15 g/mol. Its IUPAC name is 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole
PubChem CID683205
Molecular FormulaC9H6F4N2O
Molecular Weight234.15 g/mol
Exact Mass234.04
IUPAC Name2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole
SMILESF[C@H](OC(F)(F)F)c1nc2ccccc2[nH]1
InChIInChI=1S/C9H6F4N2O/c10-7(16-9(11,12)13)8-14-5-3-1-2-4-6(5)15-8/h1-4,7H,(H,14,15)/t7-/m1/s1
InChIKeyWODXDGLRIWEHDA-SSDOTTSWSA-N
XLogP3.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1,2,2,2-tetrafluoroethyl]-1H-benzimidazole
CID 683204
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
[(1S)-1-(1H-benzimidazol-2-yl)ethoxy]-tert-butyl-dimethylsilane
CID 71378419
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole (CID 683205) is 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole is F[C@H](OC(F)(F)F)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole?
The InChIKey is WODXDGLRIWEHDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6F4N2O/c10-7(16-9(11,12)13)8-14-5-3-1-2-4-6(5)15-8/h1-4,7H,(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole?
2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole has a molecular weight of 234.15 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-fluoro(trifluoromethoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 683205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).