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

C10H7F3OS — CID 71757522

IUPAC(1R)-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-/m1/s1
InChIKeyWAYSUEKROXOKQO-SECBINFHSA-N
MW232.23 g/mol
LogP3.50
Rot. Bonds1

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

(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol (PubChem CID 71757522) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
PubChem CID71757522
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name(1R)-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-/m1/s1
InChIKeyWAYSUEKROXOKQO-SECBINFHSA-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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Related Compounds

3-(1-benzothiophen-3-yl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79136552
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-(1-benzothiophen-3-yl)prop-2-yn-1-ol
CID 64914371
2-(1-benzothiophen-3-yl)-2-hydroxyacetonitrile
CID 62699836
(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241342
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-(dibromomethyl)-1-benzothiophene
CID 175195145
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol (CID 71757522) is (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol is O[C@H](c1csc2ccccc12)C(F)(F)F.
What is the InChIKey of (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
The InChIKey is WAYSUEKROXOKQO-SECBINFHSA-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-/m1/s1.
What are the key properties of (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol?
(1R)-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 (1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 71757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).