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

C8H4BrClF6S — CID 103310676

IUPAC2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
SMILESFC(F)(F)C(C(Cl)c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H4BrClF6S/c9-4-2-1-3(17-4)5(10)6(7(11,12)13)8(14,15)16/h1-2,5-6H
InChIKeyAPSXSDILXNHYGA-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.53
Rot. Bonds2

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

2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene (PubChem CID 103310676) has the molecular formula C8H4BrClF6S and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
PubChem CID103310676
Molecular FormulaC8H4BrClF6S
Molecular Weight361.53 g/mol
Exact Mass359.88
IUPAC Name2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene
SMILESFC(F)(F)C(C(Cl)c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H4BrClF6S/c9-4-2-1-3(17-4)5(10)6(7(11,12)13)8(14,15)16/h1-2,5-6H
InChIKeyAPSXSDILXNHYGA-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene (CID 103310676) is 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene is FC(F)(F)C(C(Cl)c1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of 2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
The InChIKey is APSXSDILXNHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF6S/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-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene?
2-bromo-5-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene has a molecular weight of 361.53 g/mol, XLogP of 5.53, 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-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]thiophene is sourced from PubChem (CID 103310676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).