3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene

C12H9Br2FS — CID 107958002

IUPAC3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene
SMILESFc1ccc(C(Br)Cc2ccsc2)cc1Br
InChIInChI=1S/C12H9Br2FS/c13-10(5-8-3-4-16-7-8)9-1-2-12(15)11(14)6-9/h1-4,6-7,10H,5H2
InChIKeyWZVVKDRRFQPFMH-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.33
Rot. Bonds3

About 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene

3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene (PubChem CID 107958002) has the molecular formula C12H9Br2FS and a molecular weight of 364.08 g/mol. Its IUPAC name is 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene
PubChem CID107958002
Molecular FormulaC12H9Br2FS
Molecular Weight364.08 g/mol
Exact Mass361.88
IUPAC Name3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene
SMILESFc1ccc(C(Br)Cc2ccsc2)cc1Br
InChIInChI=1S/C12H9Br2FS/c13-10(5-8-3-4-16-7-8)9-1-2-12(15)11(14)6-9/h1-4,6-7,10H,5H2
InChIKeyWZVVKDRRFQPFMH-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[2-bromo-2-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 54952781
3-[2-bromo-2-(4-tert-butylphenyl)ethyl]thiophene
CID 63544455
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
3-[2-bromo-2-(2-chloro-3-fluorophenyl)ethyl]thiophene
CID 81462005
3-[2-bromo-2-[3-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63016507
1-(3-bromo-4-fluorophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433901
3-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 63543941
3-(2,2-dibromoethyl)thiophene
CID 174416053
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene?
The IUPAC name of 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene (CID 107958002) is 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene.
What is the SMILES notation for 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene?
The canonical SMILES for 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene is Fc1ccc(C(Br)Cc2ccsc2)cc1Br.
What is the InChIKey of 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene?
The InChIKey is WZVVKDRRFQPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FS/c13-10(5-8-3-4-16-7-8)9-1-2-12(15)11(14)6-9/h1-4,6-7,10H,5H2.
What are the key properties of 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene?
3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene has a molecular weight of 364.08 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene is sourced from PubChem (CID 107958002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).