2-fluorobenzoyl chloride

C7H4ClFO — CID 9808

IUPAC2-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccccc1F
InChIInChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKeyRAAGZOYMEQDCTD-UHFFFAOYSA-N
MW158.56 g/mol
LogP2.20
Rot. Bonds1

About 2-fluorobenzoyl chloride

2-fluorobenzoyl chloride (PubChem CID 9808) has the molecular formula C7H4ClFO and a molecular weight of 158.56 g/mol. Its IUPAC name is 2-fluorobenzoyl chloride.

Molecular Properties

Compound Name2-fluorobenzoyl chloride
PubChem CID9808
Molecular FormulaC7H4ClFO
Molecular Weight158.56 g/mol
Exact Mass157.99
IUPAC Name2-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccccc1F
InChIInChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKeyRAAGZOYMEQDCTD-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-fluorobenzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluorobenzoyl chloride;hydrochloride
CID 172728813
[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
ethane;2-fluorobenzoic acid
CID 91182768
5-chloro-2-fluorobenzoyl chloride
CID 2773604
lithium 2-fluorobenzoate
CID 19205780
2-fluorobenzamide;dihydrochloride
CID 22563899
2-(2,3,4-trifluorophenyl)benzoyl chloride
CID 87480347
2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 87415927
2-fluorobenzoic acid;oxalic acid;hydrate
CID 172785033
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035

Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzoyl chloride?
The IUPAC name of 2-fluorobenzoyl chloride (CID 9808) is 2-fluorobenzoyl chloride.
What is the SMILES notation for 2-fluorobenzoyl chloride?
The canonical SMILES for 2-fluorobenzoyl chloride is O=C(Cl)c1ccccc1F.
What is the InChIKey of 2-fluorobenzoyl chloride?
The InChIKey is RAAGZOYMEQDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H.
What are the key properties of 2-fluorobenzoyl chloride?
2-fluorobenzoyl chloride has a molecular weight of 158.56 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzoyl chloride is sourced from PubChem (CID 9808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).