2-benzoyl-3-(trifluoromethyl)benzonitrile

C15H8F3NO — CID 154239239

IUPAC2-benzoyl-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C15H8F3NO/c16-15(17,18)12-8-4-7-11(9-19)13(12)14(20)10-5-2-1-3-6-10/h1-8H
InChIKeyTUVDCSMANRMJHY-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.81
Rot. Bonds2

About 2-benzoyl-3-(trifluoromethyl)benzonitrile

2-benzoyl-3-(trifluoromethyl)benzonitrile (PubChem CID 154239239) has the molecular formula C15H8F3NO and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-benzoyl-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-benzoyl-3-(trifluoromethyl)benzonitrile
PubChem CID154239239
Molecular FormulaC15H8F3NO
Molecular Weight275.23 g/mol
Exact Mass275.06
IUPAC Name2-benzoyl-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C15H8F3NO/c16-15(17,18)12-8-4-7-11(9-19)13(12)14(20)10-5-2-1-3-6-10/h1-8H
InChIKeyTUVDCSMANRMJHY-UHFFFAOYSA-N
XLogP3.81
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-benzoyl-3-(trifluoromethyl)benzonitrile (CID 154239239) is 2-benzoyl-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-benzoyl-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-benzoyl-3-(trifluoromethyl)benzonitrile is N#Cc1cccc(C(F)(F)F)c1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-3-(trifluoromethyl)benzonitrile?
The InChIKey is TUVDCSMANRMJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO/c16-15(17,18)12-8-4-7-11(9-19)13(12)14(20)10-5-2-1-3-6-10/h1-8H.
What are the key properties of 2-benzoyl-3-(trifluoromethyl)benzonitrile?
2-benzoyl-3-(trifluoromethyl)benzonitrile has a molecular weight of 275.23 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 154239239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).