5-chloro-2-fluorobenzoyl chloride

C7H3Cl2FO — CID 2773604

IUPAC5-chloro-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKeyVWGAATKTEAKOCO-UHFFFAOYSA-N
MW193.00 g/mol
LogP2.86
Rot. Bonds1

About 5-chloro-2-fluorobenzoyl chloride

5-chloro-2-fluorobenzoyl chloride (PubChem CID 2773604) has the molecular formula C7H3Cl2FO and a molecular weight of 193.00 g/mol. Its IUPAC name is 5-chloro-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluorobenzoyl chloride
PubChem CID2773604
Molecular FormulaC7H3Cl2FO
Molecular Weight193.00 g/mol
Exact Mass191.95
IUPAC Name5-chloro-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKeyVWGAATKTEAKOCO-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 52.86
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

4-fluorobenzene-1,3-dicarbonyl chloride
CID 21419886
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
2-fluorobenzoyl chloride
CID 9808
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
2-fluorobenzoyl chloride;hydrochloride
CID 172728813
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
methyl 2-(5-chloro-2-fluorophenyl)-2-oxoacetate
CID 116919136
1-(5-chloro-2-fluorophenyl)-3-methylbut-2-en-1-one
CID 114885060
2-[(2-carbonochloridoyl-5-chlorophenyl)disulfanyl]-4-chlorobenzoyl chloride
CID 14812487
5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
CID 118845592

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluorobenzoyl chloride?
The IUPAC name of 5-chloro-2-fluorobenzoyl chloride (CID 2773604) is 5-chloro-2-fluorobenzoyl chloride.
What is the SMILES notation for 5-chloro-2-fluorobenzoyl chloride?
The canonical SMILES for 5-chloro-2-fluorobenzoyl chloride is O=C(Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluorobenzoyl chloride?
The InChIKey is VWGAATKTEAKOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H.
What are the key properties of 5-chloro-2-fluorobenzoyl chloride?
5-chloro-2-fluorobenzoyl chloride has a molecular weight of 193.00 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluorobenzoyl chloride is sourced from PubChem (CID 2773604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).