(1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol

C6H4BrF3OS — CID 71757525

IUPAC(1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C6H4BrF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H/t5-/m1/s1
InChIKeyLQPGUZRVDBHBJA-RXMQYKEDSA-N
MW261.06 g/mol
LogP3.11
Rot. Bonds1

About (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol

(1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol (PubChem CID 71757525) has the molecular formula C6H4BrF3OS and a molecular weight of 261.06 g/mol. Its IUPAC name is (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol
PubChem CID71757525
Molecular FormulaC6H4BrF3OS
Molecular Weight261.06 g/mol
Exact Mass259.91
IUPAC Name(1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESO[C@H](c1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C6H4BrF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H/t5-/m1/s1
InChIKeyLQPGUZRVDBHBJA-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol (CID 71757525) is (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol is O[C@H](c1cc(Br)cs1)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is LQPGUZRVDBHBJA-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H4BrF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H/t5-/m1/s1.
What are the key properties of (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol?
(1S)-1-(4-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 (1S)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 71757525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).