3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene

C8H7Br2F3S — CID 80536907

IUPAC3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
SMILESFC(F)(F)CCC(Br)c1sccc1Br
InChIInChI=1S/C8H7Br2F3S/c9-5(1-3-8(11,12)13)7-6(10)2-4-14-7/h2,4-5H,1,3H2
InChIKeyLRPOGJCDTRIQLO-UHFFFAOYSA-N
MW352.01 g/mol
LogP5.29
Rot. Bonds3

About 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene

3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene (PubChem CID 80536907) has the molecular formula C8H7Br2F3S and a molecular weight of 352.01 g/mol. Its IUPAC name is 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
PubChem CID80536907
Molecular FormulaC8H7Br2F3S
Molecular Weight352.01 g/mol
Exact Mass349.86
IUPAC Name3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
SMILESFC(F)(F)CCC(Br)c1sccc1Br
InChIInChI=1S/C8H7Br2F3S/c9-5(1-3-8(11,12)13)7-6(10)2-4-14-7/h2,4-5H,1,3H2
InChIKeyLRPOGJCDTRIQLO-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.01
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)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-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327100
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115380573
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 79016591
[1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215838
3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
CID 80537320
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992725

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene?
The IUPAC name of 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene (CID 80536907) is 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene.
What is the SMILES notation for 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene?
The canonical SMILES for 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene is FC(F)(F)CCC(Br)c1sccc1Br.
What is the InChIKey of 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene?
The InChIKey is LRPOGJCDTRIQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F3S/c9-5(1-3-8(11,12)13)7-6(10)2-4-14-7/h2,4-5H,1,3H2.
What are the key properties of 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene?
3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene has a molecular weight of 352.01 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene is sourced from PubChem (CID 80536907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).