3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride

C13H6Cl3FO — CID 134617901

IUPAC3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cccc(-c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H6Cl3FO/c14-7-4-5-8(11(15)6-7)9-2-1-3-10(12(9)17)13(16)18/h1-6H
InChIKeyKXCVLFIAYGLFFM-UHFFFAOYSA-N
MW303.55 g/mol
LogP5.18
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride

3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride (PubChem CID 134617901) has the molecular formula C13H6Cl3FO and a molecular weight of 303.55 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
PubChem CID134617901
Molecular FormulaC13H6Cl3FO
Molecular Weight303.55 g/mol
Exact Mass301.95
IUPAC Name3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cccc(-c2ccc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H6Cl3FO/c14-7-4-5-8(11(15)6-7)9-2-1-3-10(12(9)17)13(16)18/h1-6H
InChIKeyKXCVLFIAYGLFFM-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.55
LogP ≤ 55.18
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-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
2-(2,3,4-trifluorophenyl)benzoyl chloride
CID 87480347
5-chloro-2-fluorobenzoyl chloride
CID 2773604
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
CID 134617900
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
3-(2-chloro-4,5-dimethylphenyl)-2-fluorobenzoic acid
CID 107957755

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride (CID 134617901) is 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride is O=C(Cl)c1cccc(-c2ccc(Cl)cc2Cl)c1F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride?
The InChIKey is KXCVLFIAYGLFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FO/c14-7-4-5-8(11(15)6-7)9-2-1-3-10(12(9)17)13(16)18/h1-6H.
What are the key properties of 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride?
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride has a molecular weight of 303.55 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride is sourced from PubChem (CID 134617901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).