5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile

C12H6F3NO — CID 82116825

IUPAC5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H6F3NO/c13-12(14,15)9-3-1-8(2-4-9)11-6-5-10(7-16)17-11/h1-6H
InChIKeyCEONJLKBAVULSF-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.84
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile

5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile (PubChem CID 82116825) has the molecular formula C12H6F3NO and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile
PubChem CID82116825
Molecular FormulaC12H6F3NO
Molecular Weight237.18 g/mol
Exact Mass237.04
IUPAC Name5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H6F3NO/c13-12(14,15)9-3-1-8(2-4-9)11-6-5-10(7-16)17-11/h1-6H
InChIKeyCEONJLKBAVULSF-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile (CID 82116825) is 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile is N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile?
The InChIKey is CEONJLKBAVULSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO/c13-12(14,15)9-3-1-8(2-4-9)11-6-5-10(7-16)17-11/h1-6H.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile?
5-[4-(trifluoromethyl)phenyl]furan-2-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 5-[4-(trifluoromethyl)phenyl]furan-2-carbonitrile is sourced from PubChem (CID 82116825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).