4-(trifluoromethyl)furan-2-carbonitrile

C6H2F3NO — CID 82652218

IUPAC4-(trifluoromethyl)furan-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)co1
InChIInChI=1S/C6H2F3NO/c7-6(8,9)4-1-5(2-10)11-3-4/h1,3H
InChIKeyYBLRDCLPWJDIPV-UHFFFAOYSA-N
MW161.08 g/mol
LogP2.17
Rot. Bonds

About 4-(trifluoromethyl)furan-2-carbonitrile

4-(trifluoromethyl)furan-2-carbonitrile (PubChem CID 82652218) has the molecular formula C6H2F3NO and a molecular weight of 161.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)furan-2-carbonitrile.

Molecular Properties

Compound Name4-(trifluoromethyl)furan-2-carbonitrile
PubChem CID82652218
Molecular FormulaC6H2F3NO
Molecular Weight161.08 g/mol
Exact Mass161.01
IUPAC Name4-(trifluoromethyl)furan-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)co1
InChIInChI=1S/C6H2F3NO/c7-6(8,9)4-1-5(2-10)11-3-4/h1,3H
InChIKeyYBLRDCLPWJDIPV-UHFFFAOYSA-N
XLogP2.17
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)furan-2-carbonitrile?
The IUPAC name of 4-(trifluoromethyl)furan-2-carbonitrile (CID 82652218) is 4-(trifluoromethyl)furan-2-carbonitrile.
What is the SMILES notation for 4-(trifluoromethyl)furan-2-carbonitrile?
The canonical SMILES for 4-(trifluoromethyl)furan-2-carbonitrile is N#Cc1cc(C(F)(F)F)co1.
What is the InChIKey of 4-(trifluoromethyl)furan-2-carbonitrile?
The InChIKey is YBLRDCLPWJDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3NO/c7-6(8,9)4-1-5(2-10)11-3-4/h1,3H.
What are the key properties of 4-(trifluoromethyl)furan-2-carbonitrile?
4-(trifluoromethyl)furan-2-carbonitrile has a molecular weight of 161.08 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)furan-2-carbonitrile is sourced from PubChem (CID 82652218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).