2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride

C13H6Cl2F2O — CID 46314485

IUPAC2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(F)c(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-11-5-9(7-1-3-8(16)4-2-7)12(17)6-10(11)13(15)18/h1-6H
InChIKeyWPIWYEBFPRQCNJ-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.66
Rot. Bonds2

About 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride

2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride (PubChem CID 46314485) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride
PubChem CID46314485
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(F)c(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-11-5-9(7-1-3-8(16)4-2-7)12(17)6-10(11)13(15)18/h1-6H
InChIKeyWPIWYEBFPRQCNJ-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-4-pyridin-4-ylbenzoyl chloride
CID 46317040
2-chloro-5-fluoro-4-(2,3,4,5,6-pentachlorophenyl)benzoyl chloride
CID 134629641
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
5-chloro-2-fluorobenzoyl chloride
CID 2773604
4-(4-fluorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride
CID 10830024
2-chloro-4-(2,4-difluorophenyl)benzoate
CID 86307272
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385
bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone
CID 70484247
5-fluoro-2-phenylbenzoyl chloride
CID 46314879
6-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23502836
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride?
The IUPAC name of 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride (CID 46314485) is 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride is O=C(Cl)c1cc(F)c(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride?
The InChIKey is WPIWYEBFPRQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-11-5-9(7-1-3-8(16)4-2-7)12(17)6-10(11)13(15)18/h1-6H.
What are the key properties of 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride?
2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride has a molecular weight of 287.09 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride is sourced from PubChem (CID 46314485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).