2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene

C12H8Br3FS — CID 55198404

IUPAC2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene
SMILESFc1cccc(CC(Br)c2cc(Br)sc2Br)c1
InChIInChI=1S/C12H8Br3FS/c13-10(9-6-11(14)17-12(9)15)5-7-2-1-3-8(16)4-7/h1-4,6,10H,5H2
InChIKeyZDZYYNXABXGUHQ-UHFFFAOYSA-N
MW442.97 g/mol
LogP6.09
Rot. Bonds3

About 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene

2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene (PubChem CID 55198404) has the molecular formula C12H8Br3FS and a molecular weight of 442.97 g/mol. Its IUPAC name is 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene
PubChem CID55198404
Molecular FormulaC12H8Br3FS
Molecular Weight442.97 g/mol
Exact Mass439.79
IUPAC Name2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene
SMILESFc1cccc(CC(Br)c2cc(Br)sc2Br)c1
InChIInChI=1S/C12H8Br3FS/c13-10(9-6-11(14)17-12(9)15)5-7-2-1-3-8(16)4-7/h1-4,6,10H,5H2
InChIKeyZDZYYNXABXGUHQ-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene 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-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438442
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
4-bromo-1-[1-bromo-2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 107333503
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
CID 107969352
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-propylbenzene
CID 63440508

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene (CID 55198404) is 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene is Fc1cccc(CC(Br)c2cc(Br)sc2Br)c1.
What is the InChIKey of 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene?
The InChIKey is ZDZYYNXABXGUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3FS/c13-10(9-6-11(14)17-12(9)15)5-7-2-1-3-8(16)4-7/h1-4,6,10H,5H2.
What are the key properties of 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene?
2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene has a molecular weight of 442.97 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene is sourced from PubChem (CID 55198404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).