2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

C12H6F6N2O — CID 102201293

IUPAC2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESO=Cc1cnc(C(F)(F)F)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6F6N2O/c13-11(14,15)7-2-1-3-8(4-7)20-9(6-21)5-19-10(20)12(16,17)18/h1-6H
InChIKeyYFGYISBCLYVILX-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.72
Rot. Bonds2

About 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde

2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (PubChem CID 102201293) has the molecular formula C12H6F6N2O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
PubChem CID102201293
Molecular FormulaC12H6F6N2O
Molecular Weight308.18 g/mol
Exact Mass308.04
IUPAC Name2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
SMILESO=Cc1cnc(C(F)(F)F)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6F6N2O/c13-11(14,15)7-2-1-3-8(4-7)20-9(6-21)5-19-10(20)12(16,17)18/h1-6H
InChIKeyYFGYISBCLYVILX-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde
CID 102201292
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141165
2-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 145101520
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239
4,5-bis(sulfanyl)-1,3-bis[3-(trifluoromethyl)phenyl]imidazole-2-thione
CID 169074232
6-methyl-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 134118287
1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
CID 28811541
2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 11069064
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 151378917

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde (CID 102201293) is 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is O=Cc1cnc(C(F)(F)F)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
The InChIKey is YFGYISBCLYVILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2O/c13-11(14,15)7-2-1-3-8(4-7)20-9(6-21)5-19-10(20)12(16,17)18/h1-6H.
What are the key properties of 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde?
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde has a molecular weight of 308.18 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 102201293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).