3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile

C15H7F6N — CID 165437699

IUPAC3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7F6N/c16-14(17,18)12-3-1-10(2-4-12)11-5-9(8-22)6-13(7-11)15(19,20)21/h1-7H
InChIKeyOOUZNPGGYYROPY-UHFFFAOYSA-N
MW315.22 g/mol
LogP5.26
Rot. Bonds1

About 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile

3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 165437699) has the molecular formula C15H7F6N and a molecular weight of 315.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile
PubChem CID165437699
Molecular FormulaC15H7F6N
Molecular Weight315.22 g/mol
Exact Mass315.05
IUPAC Name3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7F6N/c16-14(17,18)12-3-1-10(2-4-12)11-5-9(8-22)6-13(7-11)15(19,20)21/h1-7H
InChIKeyOOUZNPGGYYROPY-UHFFFAOYSA-N
XLogP5.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.22
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile
CID 122475491
3-(4-iodophenyl)-5-(trifluoromethyl)benzonitrile
CID 167515136
4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 11381476
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
3,5-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 137386936
3-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)benzonitrile
CID 165437703
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138565840
4-[3-cyano-5-(trifluoromethyl)phenyl]-3,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155217992
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137386596
5-[2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538864

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile (CID 165437699) is 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is OOUZNPGGYYROPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N/c16-14(17,18)12-3-1-10(2-4-12)11-5-9(8-22)6-13(7-11)15(19,20)21/h1-7H.
What are the key properties of 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile?
3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 315.22 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 165437699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).