2-benzyl-5-(trifluoromethyl)benzonitrile

C15H10F3N — CID 154096202

IUPAC2-benzyl-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Cc1ccccc1
InChIInChI=1S/C15H10F3N/c16-15(17,18)14-7-6-12(13(9-14)10-19)8-11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyVGCBJVPJSOELMP-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.17
Rot. Bonds2

About 2-benzyl-5-(trifluoromethyl)benzonitrile

2-benzyl-5-(trifluoromethyl)benzonitrile (PubChem CID 154096202) has the molecular formula C15H10F3N and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-benzyl-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-benzyl-5-(trifluoromethyl)benzonitrile
PubChem CID154096202
Molecular FormulaC15H10F3N
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-benzyl-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Cc1ccccc1
InChIInChI=1S/C15H10F3N/c16-15(17,18)14-7-6-12(13(9-14)10-19)8-11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyVGCBJVPJSOELMP-UHFFFAOYSA-N
XLogP4.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-benzyl-5-(trifluoromethyl)benzonitrile (CID 154096202) is 2-benzyl-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-benzyl-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-benzyl-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-(trifluoromethyl)benzonitrile?
The InChIKey is VGCBJVPJSOELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N/c16-15(17,18)14-7-6-12(13(9-14)10-19)8-11-4-2-1-3-5-11/h1-7,9H,8H2.
What are the key properties of 2-benzyl-5-(trifluoromethyl)benzonitrile?
2-benzyl-5-(trifluoromethyl)benzonitrile has a molecular weight of 261.25 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 154096202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).