2-(4-fluorophenyl)-2-oxoacetyl chloride

C8H4ClFO2 — CID 20638620

IUPAC2-(4-fluorophenyl)-2-oxoacetyl chloride
SMILESO=C(c1ccc(F)cc1)[13C](=O)Cl
InChIInChI=1S/C8H4ClFO2/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/i8+1
InChIKeyTWYJUNJPVOPIIA-VJJZLTLGSA-N
MW187.56 g/mol
LogP1.77
Rot. Bonds2

About 2-(4-fluorophenyl)-2-oxoacetyl chloride

2-(4-fluorophenyl)-2-oxoacetyl chloride (PubChem CID 20638620) has the molecular formula C8H4ClFO2 and a molecular weight of 187.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-oxoacetyl chloride
PubChem CID20638620
Molecular FormulaC8H4ClFO2
Molecular Weight187.56 g/mol
Exact Mass186.99
IUPAC Name2-(4-fluorophenyl)-2-oxoacetyl chloride
SMILESO=C(c1ccc(F)cc1)[13C](=O)Cl
InChIInChI=1S/C8H4ClFO2/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/i8+1
InChIKeyTWYJUNJPVOPIIA-VJJZLTLGSA-N
XLogP1.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.56
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-2-oxoacetyl 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-chloro-2-(1,3-diazinan-2-ylidene)-1-(4-fluorophenyl)ethanone
CID 10848582
(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride
CID 138391833
2-deuterio-4-fluorobenzoyl chloride
CID 91211100
methyl 4-(2-chloro-2-oxoacetyl)benzoate
CID 139757358
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
chloromethane;4-fluorobenzamide
CID 158476805
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-fluorobenzene
CID 125477253
copper bis(4-fluorobenzoate)
CID 70452334
1-(4-fluorophenyl)-3,3-bis(methylsulfanyl)-2-(trifluoromethyl)prop-2-en-1-one
CID 163213333

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-oxoacetyl chloride?
The IUPAC name of 2-(4-fluorophenyl)-2-oxoacetyl chloride (CID 20638620) is 2-(4-fluorophenyl)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(4-fluorophenyl)-2-oxoacetyl chloride?
The canonical SMILES for 2-(4-fluorophenyl)-2-oxoacetyl chloride is O=C(c1ccc(F)cc1)[13C](=O)Cl.
What is the InChIKey of 2-(4-fluorophenyl)-2-oxoacetyl chloride?
The InChIKey is TWYJUNJPVOPIIA-VJJZLTLGSA-N. The full InChI is InChI=1S/C8H4ClFO2/c9-8(12)7(11)5-1-3-6(10)4-2-5/h1-4H/i8+1.
What are the key properties of 2-(4-fluorophenyl)-2-oxoacetyl chloride?
2-(4-fluorophenyl)-2-oxoacetyl chloride has a molecular weight of 187.56 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-oxoacetyl chloride is sourced from PubChem (CID 20638620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).