2-fluorobenzoyl chloride;hydrochloride

C7H5Cl2FO — CID 172728813

IUPAC2-fluorobenzoyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1ccccc1F
InChIInChI=1S/C7H4ClFO.ClH/c8-7(10)5-3-1-2-4-6(5)9;/h1-4H;1H
InChIKeyHMZNUFGDTJATCO-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.63
Rot. Bonds1

About 2-fluorobenzoyl chloride;hydrochloride

2-fluorobenzoyl chloride;hydrochloride (PubChem CID 172728813) has the molecular formula C7H5Cl2FO and a molecular weight of 195.02 g/mol. Its IUPAC name is 2-fluorobenzoyl chloride;hydrochloride.

Molecular Properties

Compound Name2-fluorobenzoyl chloride;hydrochloride
PubChem CID172728813
Molecular FormulaC7H5Cl2FO
Molecular Weight195.02 g/mol
Exact Mass193.97
IUPAC Name2-fluorobenzoyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1ccccc1F
InChIInChI=1S/C7H4ClFO.ClH/c8-7(10)5-3-1-2-4-6(5)9;/h1-4H;1H
InChIKeyHMZNUFGDTJATCO-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 52.63
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-fluorobenzoyl chloride
CID 9808
2-fluorobenzamide;dihydrochloride
CID 22563899
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
2-(2-fluorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride
CID 75088887
2-sulfanylbenzoyl chloride;hydrochloride
CID 162321706
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
lithium 2-fluorobenzoate
CID 19205780
ethane;2-fluorobenzoic acid
CID 91182768
5-chloro-2-fluorobenzoyl chloride
CID 2773604
2-(fluoromethyl)benzoyl chloride;dihydrochloride
CID 141117669
2-(2,3,4-trifluorophenyl)benzoyl chloride
CID 87480347

Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzoyl chloride;hydrochloride?
The IUPAC name of 2-fluorobenzoyl chloride;hydrochloride (CID 172728813) is 2-fluorobenzoyl chloride;hydrochloride.
What is the SMILES notation for 2-fluorobenzoyl chloride;hydrochloride?
The canonical SMILES for 2-fluorobenzoyl chloride;hydrochloride is Cl.O=C(Cl)c1ccccc1F.
What is the InChIKey of 2-fluorobenzoyl chloride;hydrochloride?
The InChIKey is HMZNUFGDTJATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO.ClH/c8-7(10)5-3-1-2-4-6(5)9;/h1-4H;1H.
What are the key properties of 2-fluorobenzoyl chloride;hydrochloride?
2-fluorobenzoyl chloride;hydrochloride has a molecular weight of 195.02 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzoyl chloride;hydrochloride is sourced from PubChem (CID 172728813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).