2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile

C12H6F3NO — CID 12009333

IUPAC2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)coc1-c1ccccc1
InChIInChI=1S/C12H6F3NO/c13-12(14,15)10-7-17-11(9(10)6-16)8-4-2-1-3-5-8/h1-5,7H
InChIKeySHUHLLZFGVMLES-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.84
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile

2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile (PubChem CID 12009333) has the molecular formula C12H6F3NO and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile
PubChem CID12009333
Molecular FormulaC12H6F3NO
Molecular Weight237.18 g/mol
Exact Mass237.04
IUPAC Name2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)coc1-c1ccccc1
InChIInChI=1S/C12H6F3NO/c13-12(14,15)10-7-17-11(9(10)6-16)8-4-2-1-3-5-8/h1-5,7H
InChIKeySHUHLLZFGVMLES-UHFFFAOYSA-N
XLogP3.84
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097394
3-methyl-2,6-diphenyl-5-(trifluoromethyl)benzonitrile
CID 89254564
1,2-diphenyl-4-(trifluoromethyl)pyrrole-3-carbonitrile
CID 140991511
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]cyanamide
CID 10913190
3-(trifluoromethyl)-1-benzofuran-7-carbonitrile
CID 166609327
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
2-(cyanomethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 3135060
2-fluoro-6-sulfanyl-3-(trifluoromethyl)benzonitrile
CID 171015995
2-chloro-6-(trifluoromethyl)benzonitrile
CID 10867457
4-formyl-2,6-bis(trifluoromethyl)benzonitrile
CID 134638671
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile (CID 12009333) is 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile is N#Cc1c(C(F)(F)F)coc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile?
The InChIKey is SHUHLLZFGVMLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO/c13-12(14,15)10-7-17-11(9(10)6-16)8-4-2-1-3-5-8/h1-5,7H.
What are the key properties of 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile?
2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile has a molecular weight of 237.18 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)furan-3-carbonitrile is sourced from PubChem (CID 12009333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).