4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride

C14H7Cl2F3O — CID 134630869

IUPAC4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H7Cl2F3O/c15-12-6-5-8(13(16)20)7-10(12)9-3-1-2-4-11(9)14(17,18)19/h1-7H
InChIKeyPSCOZQVADAAMAI-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.40
Rot. Bonds2

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

4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride (PubChem CID 134630869) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
PubChem CID134630869
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H7Cl2F3O/c15-12-6-5-8(13(16)20)7-10(12)9-3-1-2-4-11(9)14(17,18)19/h1-7H
InChIKeyPSCOZQVADAAMAI-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.11
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
CID 46313258
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 119000204
4-chloro-3-[[2-(trifluoromethyl)phenyl]methoxy]benzoyl chloride
CID 139892237
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
3-chloro-2-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134630863
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
4-chloro-3-(2-oxochromen-3-yl)benzoyl chloride
CID 91688771

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The IUPAC name of 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride (CID 134630869) is 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride.
What is the SMILES notation for 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The canonical SMILES for 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride is O=C(Cl)c1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
The InChIKey is PSCOZQVADAAMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-12-6-5-8(13(16)20)7-10(12)9-3-1-2-4-11(9)14(17,18)19/h1-7H.
What are the key properties of 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride?
4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride has a molecular weight of 319.11 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride is sourced from PubChem (CID 134630869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).