1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol

C6H3BrClF3OS — CID 80532201

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Cl)c(Br)s1)C(F)(F)F
InChIInChI=1S/C6H3BrClF3OS/c7-5-2(8)1-3(13-5)4(12)6(9,10)11/h1,4,12H
InChIKeyDFQSDFDGZAAPOR-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.76
Rot. Bonds1

About 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol

1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol (PubChem CID 80532201) has the molecular formula C6H3BrClF3OS and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
PubChem CID80532201
Molecular FormulaC6H3BrClF3OS
Molecular Weight295.51 g/mol
Exact Mass293.87
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc(Cl)c(Br)s1)C(F)(F)F
InChIInChI=1S/C6H3BrClF3OS/c7-5-2(8)1-3(13-5)4(12)6(9,10)11/h1,4,12H
InChIKeyDFQSDFDGZAAPOR-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol (CID 80532201) is 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol is OC(c1cc(Cl)c(Br)s1)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is DFQSDFDGZAAPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF3OS/c7-5-2(8)1-3(13-5)4(12)6(9,10)11/h1,4,12H.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 295.51 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 80532201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).