2-[4-bromo-3-(4-bromophenyl)butyl]thiophene

C14H14Br2S — CID 79434883

IUPAC2-[4-bromo-3-(4-bromophenyl)butyl]thiophene
SMILESBrCC(CCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C14H14Br2S/c15-10-12(5-8-14-2-1-9-17-14)11-3-6-13(16)7-4-11/h1-4,6-7,9,12H,5,8,10H2
InChIKeyMTNPPKRPEQKPRC-UHFFFAOYSA-N
MW374.14 g/mol
LogP5.62
Rot. Bonds5

About 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene

2-[4-bromo-3-(4-bromophenyl)butyl]thiophene (PubChem CID 79434883) has the molecular formula C14H14Br2S and a molecular weight of 374.14 g/mol. Its IUPAC name is 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene.

Molecular Properties

Compound Name2-[4-bromo-3-(4-bromophenyl)butyl]thiophene
PubChem CID79434883
Molecular FormulaC14H14Br2S
Molecular Weight374.14 g/mol
Exact Mass371.92
IUPAC Name2-[4-bromo-3-(4-bromophenyl)butyl]thiophene
SMILESBrCC(CCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C14H14Br2S/c15-10-12(5-8-14-2-1-9-17-14)11-3-6-13(16)7-4-11/h1-4,6-7,9,12H,5,8,10H2
InChIKeyMTNPPKRPEQKPRC-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.14
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-3-(3-fluorophenyl)butyl]thiophene
CID 79432221
2-[4-bromo-3-(2-methylphenyl)butyl]thiophene
CID 79418362
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
3-(4-bromophenyl)-4-thiophen-2-ylbutanoic acid
CID 84606425
[1-(6-bromonaphthalen-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308962
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene?
The IUPAC name of 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene (CID 79434883) is 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene.
What is the SMILES notation for 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene?
The canonical SMILES for 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene is BrCC(CCc1cccs1)c1ccc(Br)cc1.
What is the InChIKey of 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene?
The InChIKey is MTNPPKRPEQKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2S/c15-10-12(5-8-14-2-1-9-17-14)11-3-6-13(16)7-4-11/h1-4,6-7,9,12H,5,8,10H2.
What are the key properties of 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene?
2-[4-bromo-3-(4-bromophenyl)butyl]thiophene has a molecular weight of 374.14 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(4-bromophenyl)butyl]thiophene is sourced from PubChem (CID 79434883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).