2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile

C14H8F3NO — CID 53220126

IUPAC2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H8F3NO/c15-14(16,17)12-5-3-9(4-6-12)10-1-2-11(8-18)13(19)7-10/h1-7,19H
InChIKeyKPTXYCIWFVABIU-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.95
Rot. Bonds1

About 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile

2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 53220126) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID53220126
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C14H8F3NO/c15-14(16,17)12-5-3-9(4-6-12)10-1-2-11(8-18)13(19)7-10/h1-7,19H
InChIKeyKPTXYCIWFVABIU-UHFFFAOYSA-N
XLogP3.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile (CID 53220126) is 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is KPTXYCIWFVABIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)12-5-3-9(4-6-12)10-1-2-11(8-18)13(19)7-10/h1-7,19H.
What are the key properties of 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile?
2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 53220126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).