2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene

C6H3Br2F3S — CID 61098417

IUPAC2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene
SMILESFC(F)(F)C(Br)c1ccc(Br)s1
InChIInChI=1S/C6H3Br2F3S/c7-4-2-1-3(12-4)5(8)6(9,10)11/h1-2,5H
InChIKeyLLNNOMAHATUYDU-UHFFFAOYSA-N
MW323.96 g/mol
LogP4.51
Rot. Bonds1

About 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene

2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene (PubChem CID 61098417) has the molecular formula C6H3Br2F3S and a molecular weight of 323.96 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene
PubChem CID61098417
Molecular FormulaC6H3Br2F3S
Molecular Weight323.96 g/mol
Exact Mass321.83
IUPAC Name2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene
SMILESFC(F)(F)C(Br)c1ccc(Br)s1
InChIInChI=1S/C6H3Br2F3S/c7-4-2-1-3(12-4)5(8)6(9,10)11/h1-2,5H
InChIKeyLLNNOMAHATUYDU-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.96
LogP ≤ 54.51
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-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310733
2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310676
2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346044
2-bromo-5-[bromo-(4-fluorophenyl)methyl]thiophene
CID 63439478
3-[1-(5-bromothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 115712100
1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719779
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210270
1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62116122
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104579922
2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
CID 61085489
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
CID 66276064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene?
The IUPAC name of 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene (CID 61098417) is 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene is FC(F)(F)C(Br)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene?
The InChIKey is LLNNOMAHATUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F3S/c7-4-2-1-3(12-4)5(8)6(9,10)11/h1-2,5H.
What are the key properties of 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene?
2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene has a molecular weight of 323.96 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-2,2,2-trifluoroethyl)thiophene is sourced from PubChem (CID 61098417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).