1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene

C14H10ClF3 — CID 162568601

IUPAC1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C14H10ClF3/c1-9-2-4-10(5-3-9)12-8-11(14(16,17)18)6-7-13(12)15/h2-8H,1H3
InChIKeyKJPYATOBRIDMOB-UHFFFAOYSA-N
MW270.68 g/mol
LogP5.33
Rot. Bonds1

About 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene

1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene (PubChem CID 162568601) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
PubChem CID162568601
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
SMILESCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C14H10ClF3/c1-9-2-4-10(5-3-9)12-8-11(14(16,17)18)6-7-13(12)15/h2-8H,1H3
InChIKeyKJPYATOBRIDMOB-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.68
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene (CID 162568601) is 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene is Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene?
The InChIKey is KJPYATOBRIDMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c1-9-2-4-10(5-3-9)12-8-11(14(16,17)18)6-7-13(12)15/h2-8H,1H3.
What are the key properties of 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene?
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene has a molecular weight of 270.68 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162568601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).