1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol

C11H9F3OS — CID 117119220

IUPAC1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
SMILESCC(O)c1csc2cccc(C(F)(F)F)c12
InChIInChI=1S/C11H9F3OS/c1-6(15)7-5-16-9-4-2-3-8(10(7)9)11(12,13)14/h2-6,15H,1H3
InChIKeyFLBJRMFJCRLZHZ-UHFFFAOYSA-N
MW246.25 g/mol
LogP3.97
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol

1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol (PubChem CID 117119220) has the molecular formula C11H9F3OS and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
PubChem CID117119220
Molecular FormulaC11H9F3OS
Molecular Weight246.25 g/mol
Exact Mass246.03
IUPAC Name1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
SMILESCC(O)c1csc2cccc(C(F)(F)F)c12
InChIInChI=1S/C11H9F3OS/c1-6(15)7-5-16-9-4-2-3-8(10(7)9)11(12,13)14/h2-6,15H,1H3
InChIKeyFLBJRMFJCRLZHZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
3-(1-hydroxyethyl)-5-(trifluoromethyl)-1H-quinolin-4-one
CID 90869470
3-[(sulfinoamino)methyl]-4-(trifluoromethyl)-1-benzothiophene
CID 68982369
1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol
CID 117123033
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
3-(1-fluoroethyl)-1-benzothiophene-4-carboxylic acid
CID 84689054
1-(4-methyl-1-benzothiophen-3-yl)ethanamine
CID 117119248
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707292
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
The IUPAC name of 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol (CID 117119220) is 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
The canonical SMILES for 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol is CC(O)c1csc2cccc(C(F)(F)F)c12.
What is the InChIKey of 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
The InChIKey is FLBJRMFJCRLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3OS/c1-6(15)7-5-16-9-4-2-3-8(10(7)9)11(12,13)14/h2-6,15H,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol has a molecular weight of 246.25 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol is sourced from PubChem (CID 117119220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).