(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol

C10H7F3OS — CID 71757521

IUPAC(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
SMILESO[C@@H](c1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C10H7F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,14H/t9-/m0/s1
InChIKeyWAYSUEKROXOKQO-VIFPVBQESA-N
MW232.23 g/mol
LogP3.50
Rot. Bonds1

About (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol

(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol (PubChem CID 71757521) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
PubChem CID71757521
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
SMILESO[C@@H](c1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C10H7F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,14H/t9-/m0/s1
InChIKeyWAYSUEKROXOKQO-VIFPVBQESA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol (CID 71757521) is (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol is O[C@@H](c1csc2ccccc12)C(F)(F)F.
What is the InChIKey of (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is WAYSUEKROXOKQO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H7F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,14H/t9-/m0/s1.
What are the key properties of (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
(1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol has a molecular weight of 232.23 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 71757521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).