4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde

C10H5F5N2O — CID 170588292

IUPAC4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde
SMILESO=Cc1c(F)cc2[nH]c(CC(F)(F)F)nc2c1F
InChIInChI=1S/C10H5F5N2O/c11-5-1-6-9(8(12)4(5)3-18)17-7(16-6)2-10(13,14)15/h1,3H,2H2,(H,16,17)
InChIKeyWHDBTDPBBOQGNF-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.76
Rot. Bonds2

About 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde

4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde (PubChem CID 170588292) has the molecular formula C10H5F5N2O and a molecular weight of 264.15 g/mol. Its IUPAC name is 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde
PubChem CID170588292
Molecular FormulaC10H5F5N2O
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC Name4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde
SMILESO=Cc1c(F)cc2[nH]c(CC(F)(F)F)nc2c1F
InChIInChI=1S/C10H5F5N2O/c11-5-1-6-9(8(12)4(5)3-18)17-7(16-6)2-10(13,14)15/h1,3H,2H2,(H,16,17)
InChIKeyWHDBTDPBBOQGNF-UHFFFAOYSA-N
XLogP2.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
CID 113398057
4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 60978005
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
2,4,6-trifluoro-3-(trifluoromethyl)benzaldehyde
CID 19995599
5-bromo-2-[(4-ethylsulfonylphenyl)methyl]-4,6-difluoro-1H-benzimidazole
CID 153360284
2-ethyl-7-fluoro-3H-benzimidazol-5-amine
CID 83696004
2-(2,2-dimethylpropyl)-6-methyl-4-(trifluoromethyl)-1H-benzimidazole
CID 134452328
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine
CID 134452341

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde?
The IUPAC name of 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde (CID 170588292) is 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde.
What is the SMILES notation for 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde?
The canonical SMILES for 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde is O=Cc1c(F)cc2[nH]c(CC(F)(F)F)nc2c1F.
What is the InChIKey of 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde?
The InChIKey is WHDBTDPBBOQGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O/c11-5-1-6-9(8(12)4(5)3-18)17-7(16-6)2-10(13,14)15/h1,3H,2H2,(H,16,17).
What are the key properties of 4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde?
4,6-difluoro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde has a molecular weight of 264.15 g/mol, XLogP of 2.76, 2 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-trifluoroethyl)-1H-benzimidazole-5-carbaldehyde is sourced from PubChem (CID 170588292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).