2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone

C13H10BrFOS — CID 18463545

IUPAC2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone
SMILESCc1csc(C(=O)C(Br)c2ccc(F)cc2)c1
InChIInChI=1S/C13H10BrFOS/c1-8-6-11(17-7-8)13(16)12(14)9-2-4-10(15)5-3-9/h2-7,12H,1H3
InChIKeyWSJVMPOYCSEEAS-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.51
Rot. Bonds3

About 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone

2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone (PubChem CID 18463545) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone
PubChem CID18463545
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone
SMILESCc1csc(C(=O)C(Br)c2ccc(F)cc2)c1
InChIInChI=1S/C13H10BrFOS/c1-8-6-11(17-7-8)13(16)12(14)9-2-4-10(15)5-3-9/h2-7,12H,1H3
InChIKeyWSJVMPOYCSEEAS-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone 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-(4-methylthiophene-2-carbonyl)propanedinitrile
CID 130992381
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
propan-2-yl 3-bromo-3-(4-fluorophenyl)-2-oxopropanoate
CID 133056790
2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 143364399
tert-butyl 3-bromo-3-(4-fluorophenyl)-2-oxopropanoate
CID 133057244
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
CID 130835210
(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
CID 130719213
(2R)-2-bromo-1-(3,5-dimethylphenyl)-2-pyridin-4-ylethanone
CID 98749698
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
1-[bromo-(4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106862999

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone (CID 18463545) is 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone is Cc1csc(C(=O)C(Br)c2ccc(F)cc2)c1.
What is the InChIKey of 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone?
The InChIKey is WSJVMPOYCSEEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-8-6-11(17-7-8)13(16)12(14)9-2-4-10(15)5-3-9/h2-7,12H,1H3.
What are the key properties of 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone?
2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone has a molecular weight of 313.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 18463545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).