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

C15H10F3N — CID 162534916

IUPAC4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F3N/c16-15(17,18)14-3-1-2-13(9-14)8-11-4-6-12(10-19)7-5-11/h1-7,9H,8H2
InChIKeySUAXXORRWHHDPI-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.17
Rot. Bonds2

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

4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile (PubChem CID 162534916) has the molecular formula C15H10F3N and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
PubChem CID162534916
Molecular FormulaC15H10F3N
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F3N/c16-15(17,18)14-3-1-2-13(9-14)8-11-4-6-12(10-19)7-5-11/h1-7,9H,8H2
InChIKeySUAXXORRWHHDPI-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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Related Compounds

4-[[3,5-bis(trifluoromethyl)phenyl]methyl]benzonitrile
CID 134956845
4-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]benzonitrile
CID 134058065
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
4-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 115481025
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
4-[[3-(trifluoromethyl)phenyl]methylamino]benzene-1,3-dicarbonitrile
CID 174921966
4-[[1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]indazol-5-yl]methyl]benzonitrile;hydrochloride
CID 70306818
4-[2-imino-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 22897514
2-[[3-(trifluoromethyl)phenyl]methyl]propanedinitrile
CID 56649771
1-methyl-2-(trifluoromethoxy)-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 138534397
3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]benzonitrile
CID 157158460

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile (CID 162534916) is 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile is N#Cc1ccc(Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile?
The InChIKey is SUAXXORRWHHDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N/c16-15(17,18)14-3-1-2-13(9-14)8-11-4-6-12(10-19)7-5-11/h1-7,9H,8H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile?
4-[[3-(trifluoromethyl)phenyl]methyl]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 4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile is sourced from PubChem (CID 162534916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).