1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol

C6H4BrF3OS — CID 19971580

IUPAC1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H4BrF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5,11H
InChIKeyXGACUFQKJSMHLR-UHFFFAOYSA-N
MW261.06 g/mol
LogP3.11
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol

1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol (PubChem CID 19971580) has the molecular formula C6H4BrF3OS and a molecular weight of 261.06 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol
PubChem CID19971580
Molecular FormulaC6H4BrF3OS
Molecular Weight261.06 g/mol
Exact Mass259.91
IUPAC Name1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C6H4BrF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5,11H
InChIKeyXGACUFQKJSMHLR-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromo-2-thienyl)methanol
CID 2795484
2,2,2-Trifluoro-1-(thiophen-2-yl)ethan-1-ol
CID 10954147
4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol
CID 57915
(4,5-Dibromothiophen-2-yl)methanol
CID 59355817
(5-Bromothiophen-2-yl)methanol
CID 11435467
1-(5-Bromothiophen-2-yl)ethan-1-ol
CID 13052050
2-(5-Bromothiophen-2-yl)ethan-1-ol
CID 20750617
(5-Bromo-4-methylthiophen-2-yl)methanol
CID 79997697
(5-(1,1,2,2,2-Pentafluoroethyl)thiophen-2-yl)methanol
CID 117839821
5-(Trifluoromethyl)-2-thiophenemethanol
CID 53925540
(1S)-1-(5-bromothiophen-2-yl)ethan-1-ol
CID 13052051
(1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethan-1-ol
CID 71757525

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol (CID 19971580) is 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol is OC(c1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is XGACUFQKJSMHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3OS/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2,5,11H.
What are the key properties of 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 261.06 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 19971580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).