2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile

C14H7ClF3NO — CID 53222084

IUPAC2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2cc(O)cc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H7ClF3NO/c15-13-2-1-8(3-10(13)7-19)9-4-11(14(16,17)18)6-12(20)5-9/h1-6,20H
InChIKeyLZNYKCDUTJCDFC-UHFFFAOYSA-N
MW297.66 g/mol
LogP4.60
Rot. Bonds1

About 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile

2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 53222084) has the molecular formula C14H7ClF3NO and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID53222084
Molecular FormulaC14H7ClF3NO
Molecular Weight297.66 g/mol
Exact Mass297.02
IUPAC Name2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2cc(O)cc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H7ClF3NO/c15-13-2-1-8(3-10(13)7-19)9-4-11(14(16,17)18)6-12(20)5-9/h1-6,20H
InChIKeyLZNYKCDUTJCDFC-UHFFFAOYSA-N
XLogP4.60
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile (CID 53222084) is 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-c2cc(O)cc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is LZNYKCDUTJCDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3NO/c15-13-2-1-8(3-10(13)7-19)9-4-11(14(16,17)18)6-12(20)5-9/h1-6,20H.
What are the key properties of 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile?
2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 297.66 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-hydroxy-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 53222084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).