2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride

C13H6Cl3FO — CID 134617653

IUPAC2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)cccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl3FO/c14-9-5-1-4-8(12(9)15)7-3-2-6-10(17)11(7)13(16)18/h1-6H
InChIKeyTVMGMUKVUXWQNH-UHFFFAOYSA-N
MW303.55 g/mol
LogP5.18
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride

2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride (PubChem CID 134617653) has the molecular formula C13H6Cl3FO and a molecular weight of 303.55 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride
PubChem CID134617653
Molecular FormulaC13H6Cl3FO
Molecular Weight303.55 g/mol
Exact Mass301.95
IUPAC Name2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride
SMILESO=C(Cl)c1c(F)cccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl3FO/c14-9-5-1-4-8(12(9)15)7-3-2-6-10(17)11(7)13(16)18/h1-6H
InChIKeyTVMGMUKVUXWQNH-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)-6-fluorobenzoyl chloride
CID 119006979
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
methyl 2-(2,3-dichlorophenyl)-4,5-difluorobenzoate
CID 119016274
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
2-chloro-6-fluorobenzenecarbothioyl chloride
CID 135378581
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
CID 141040222
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride (CID 134617653) is 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride is O=C(Cl)c1c(F)cccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride?
The InChIKey is TVMGMUKVUXWQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FO/c14-9-5-1-4-8(12(9)15)7-3-2-6-10(17)11(7)13(16)18/h1-6H.
What are the key properties of 2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride?
2-(2,3-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-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride is sourced from PubChem (CID 134617653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).