4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole

C10H7F5N2O — CID 103208892

IUPAC4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
SMILESFc1cc(F)c2nc(COCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H7F5N2O/c11-5-1-6(12)9-7(2-5)16-8(17-9)3-18-4-10(13,14)15/h1-2H,3-4H2,(H,16,17)
InChIKeyVTKRWINTAIIOKH-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.92
Rot. Bonds3

About 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole

4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole (PubChem CID 103208892) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
PubChem CID103208892
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
SMILESFc1cc(F)c2nc(COCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H7F5N2O/c11-5-1-6(12)9-7(2-5)16-8(17-9)3-18-4-10(13,14)15/h1-2H,3-4H2,(H,16,17)
InChIKeyVTKRWINTAIIOKH-UHFFFAOYSA-N
XLogP2.92
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
CID 81463474
5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208916
4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
CID 81463285
6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208843
6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208878
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208877
N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 81449443
2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 81450045
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
2-[(4,6-difluoro-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570612
2-(1,4-diazepan-1-ylmethyl)-4,6-difluoro-1H-benzimidazole
CID 81449105
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole (CID 103208892) is 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole is Fc1cc(F)c2nc(COCC(F)(F)F)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole?
The InChIKey is VTKRWINTAIIOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c11-5-1-6(12)9-7(2-5)16-8(17-9)3-18-4-10(13,14)15/h1-2H,3-4H2,(H,16,17).
What are the key properties of 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole?
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole has a molecular weight of 266.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 103208892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).