3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile

C14H7ClF3N — CID 122475491

IUPAC3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7ClF3N/c15-13-3-1-10(2-4-13)11-5-9(8-19)6-12(7-11)14(16,17)18/h1-7H
InChIKeyWMAQRNPIFAAARC-UHFFFAOYSA-N
MW281.66 g/mol
LogP4.90
Rot. Bonds1

About 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile

3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile (PubChem CID 122475491) has the molecular formula C14H7ClF3N and a molecular weight of 281.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile
PubChem CID122475491
Molecular FormulaC14H7ClF3N
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Name3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7ClF3N/c15-13-3-1-10(2-4-13)11-5-9(8-19)6-12(7-11)14(16,17)18/h1-7H
InChIKeyWMAQRNPIFAAARC-UHFFFAOYSA-N
XLogP4.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile (CID 122475491) is 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile?
The InChIKey is WMAQRNPIFAAARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N/c15-13-3-1-10(2-4-13)11-5-9(8-19)6-12(7-11)14(16,17)18/h1-7H.
What are the key properties of 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile?
3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile has a molecular weight of 281.66 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 122475491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).