2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride

C13H6Cl3FO — CID 119006979

IUPAC2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl3FO/c14-7-4-5-8(10(15)6-7)9-2-1-3-11(17)12(9)13(16)18/h1-6H
InChIKeyOIVHLBCPCGIVQT-UHFFFAOYSA-N
MW303.55 g/mol
LogP5.18
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride

2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride (PubChem CID 119006979) has the molecular formula C13H6Cl3FO and a molecular weight of 303.55 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
PubChem CID119006979
Molecular FormulaC13H6Cl3FO
Molecular Weight303.55 g/mol
Exact Mass301.95
IUPAC Name2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl3FO/c14-7-4-5-8(10(15)6-7)9-2-1-3-11(17)12(9)13(16)18/h1-6H
InChIKeyOIVHLBCPCGIVQT-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

methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134617653
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207
2-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
5-chloro-2-fluorobenzoyl chloride
CID 2773604
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride (CID 119006979) is 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride is O=C(Cl)c1c(F)cccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride?
The InChIKey is OIVHLBCPCGIVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FO/c14-7-4-5-8(10(15)6-7)9-2-1-3-11(17)12(9)13(16)18/h1-6H.
What are the key properties of 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride?
2-(2,4-dichlorophenyl)-6-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 2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride is sourced from PubChem (CID 119006979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).