2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile

C14H6F5N — CID 172915379

IUPAC2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H6F5N/c15-10-4-9(5-11(16)6-10)13-8(7-20)2-1-3-12(13)14(17,18)19/h1-6H
InChIKeyBKBZMIRHNWBLKU-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.52
Rot. Bonds1

About 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile

2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile (PubChem CID 172915379) has the molecular formula C14H6F5N and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile
PubChem CID172915379
Molecular FormulaC14H6F5N
Molecular Weight283.20 g/mol
Exact Mass283.04
IUPAC Name2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H6F5N/c15-10-4-9(5-11(16)6-10)13-8(7-20)2-1-3-12(13)14(17,18)19/h1-6H
InChIKeyBKBZMIRHNWBLKU-UHFFFAOYSA-N
XLogP4.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile (CID 172915379) is 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile is N#Cc1cccc(C(F)(F)F)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is BKBZMIRHNWBLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5N/c15-10-4-9(5-11(16)6-10)13-8(7-20)2-1-3-12(13)14(17,18)19/h1-6H.
What are the key properties of 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile?
2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 283.20 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 172915379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).