2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile

C15H9ClF3N — CID 25184588

IUPAC2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C15H9ClF3N/c16-14-9-12(5-6-13(14)15(17,18)19)11-3-1-10(2-4-11)7-8-20/h1-6,9H,7H2
InChIKeyQCIKIWXHEMJRIF-UHFFFAOYSA-N
MW295.69 g/mol
LogP5.09
Rot. Bonds2

About 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile

2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile (PubChem CID 25184588) has the molecular formula C15H9ClF3N and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile
PubChem CID25184588
Molecular FormulaC15H9ClF3N
Molecular Weight295.69 g/mol
Exact Mass295.04
IUPAC Name2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C15H9ClF3N/c16-14-9-12(5-6-13(14)15(17,18)19)11-3-1-10(2-4-11)7-8-20/h1-6,9H,7H2
InChIKeyQCIKIWXHEMJRIF-UHFFFAOYSA-N
XLogP5.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.69
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile
CID 5004685
5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184446
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
CID 82083442
2-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134623086
2-[4-(3-hydroxyphenyl)phenyl]acetonitrile
CID 70503245
2-[3-chloro-5-(4-chloro-3-fluorophenyl)phenyl]acetonitrile
CID 175670067
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
2-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]acetonitrile
CID 171003810
2-[4-(2,2,2-trifluoroethyl)phenyl]acetonitrile
CID 84668654
2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile (CID 25184588) is 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile is N#CCc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile?
The InChIKey is QCIKIWXHEMJRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N/c16-14-9-12(5-6-13(14)15(17,18)19)11-3-1-10(2-4-11)7-8-20/h1-6,9H,7H2.
What are the key properties of 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile?
2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile has a molecular weight of 295.69 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile is sourced from PubChem (CID 25184588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).