2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene

C8H4Br2F6S — CID 103310733

IUPAC2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
SMILESFC(F)(F)C(C(Br)c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H4Br2F6S/c9-4-2-1-3(17-4)5(10)6(7(11,12)13)8(14,15)16/h1-2,5-6H
InChIKeyBJHHDQNRPOKFED-UHFFFAOYSA-N
MW405.98 g/mol
LogP5.69
Rot. Bonds2

About 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene

2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene (PubChem CID 103310733) has the molecular formula C8H4Br2F6S and a molecular weight of 405.98 g/mol. Its IUPAC name is 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
PubChem CID103310733
Molecular FormulaC8H4Br2F6S
Molecular Weight405.98 g/mol
Exact Mass403.83
IUPAC Name2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
SMILESFC(F)(F)C(C(Br)c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H4Br2F6S/c9-4-2-1-3(17-4)5(10)6(7(11,12)13)8(14,15)16/h1-2,5-6H
InChIKeyBJHHDQNRPOKFED-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.98
LogP ≤ 55.69
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-2,2,2-trifluoroethyl)thiophene
CID 61098417
2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
CID 103310676
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
CID 103310684
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene
CID 103310769
2-bromo-5-(1-bromo-2-methylsulfonylpropyl)thiophene
CID 104521556
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
2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
CID 63443930
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311834
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
2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene (CID 103310733) is 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene is FC(F)(F)C(C(Br)c1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
The InChIKey is BJHHDQNRPOKFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F6S/c9-4-2-1-3(17-4)5(10)6(7(11,12)13)8(14,15)16/h1-2,5-6H.
What are the key properties of 2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene has a molecular weight of 405.98 g/mol, XLogP of 5.69, 2 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-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene is sourced from PubChem (CID 103310733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).