1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone

C14H9BrClFO — CID 107957005

IUPAC1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
SMILESO=C(c1ccc(F)c(Br)c1)C(Cl)c1ccccc1
InChIInChI=1S/C14H9BrClFO/c15-11-8-10(6-7-12(11)17)14(18)13(16)9-4-2-1-3-5-9/h1-8,13H
InChIKeyPQQLVHVHAUSGOG-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.75
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone

1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone (PubChem CID 107957005) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
PubChem CID107957005
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
SMILESO=C(c1ccc(F)c(Br)c1)C(Cl)c1ccccc1
InChIInChI=1S/C14H9BrClFO/c15-11-8-10(6-7-12(11)17)14(18)13(16)9-4-2-1-3-5-9/h1-8,13H
InChIKeyPQQLVHVHAUSGOG-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone 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

1-(3-bromo-4-chlorophenyl)-2-chloro-2-phenylethanone
CID 107988714
5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
CID 146010108
2-bromo-1-(3-bromo-4-fluorophenyl)-2-chloroethanone
CID 155932134
1-(3-bromo-4-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81471585
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
CID 81235854
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
3-bromo-4-fluorobenzoyl bromide
CID 3018761
1-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylethanone
CID 21408356

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone (CID 107957005) is 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone is O=C(c1ccc(F)c(Br)c1)C(Cl)c1ccccc1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone?
The InChIKey is PQQLVHVHAUSGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c15-11-8-10(6-7-12(11)17)14(18)13(16)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone?
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone has a molecular weight of 327.58 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone is sourced from PubChem (CID 107957005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).