1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol

C10H11FOS — CID 117202042

IUPAC1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESCC(O)C1CSc2ccc(F)cc21
InChIInChI=1S/C10H11FOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-4,6,9,12H,5H2,1H3
InChIKeyROTGBPOFMIUCOE-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.40
Rot. Bonds1

About 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol

1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol (PubChem CID 117202042) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol
PubChem CID117202042
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESCC(O)C1CSc2ccc(F)cc21
InChIInChI=1S/C10H11FOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-4,6,9,12H,5H2,1H3
InChIKeyROTGBPOFMIUCOE-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Phenyl-2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 457216
Benzo(b)thiophene-3-methanol, 2,3-dihydro-, 1,1-dioxide
CID 119056929
1,1-Difluoro-2-(2-methylsulfanylphenyl)hept-1-en-4-ol
CID 162419485
2,3-Dihydro-1-benzothiophene-3-ol
CID 23248302
2,3-Dihydrobenzothiophene-2,3-diol
CID 85675935
(2,3-Dihydro-1-benzothiophen-3-yl)methanol
CID 79212252
(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol
CID 19982160
3-(4-Fluorophenyl)-2-thiophen-2-ylpropan-1-ol
CID 24269167
2-(2-(4-Fluorobenzyl)thiophen-3-yl)ethanol
CID 57428830
(3S,4S,5S)-3-butyl-3-ethyl-7-fluoro-5-(4-fluorophenyl)-4,5-dihydro-2H-1-benzothiepin-4-ol
CID 59962514
(3S,4R,5R)-3-butyl-3-ethyl-7-fluoro-5-(4-fluorophenyl)-4,5-dihydro-2H-1-benzothiepin-4-ol
CID 59962556
1-(5-Fluoro-1-benzothiophen-3-yl)ethanol
CID 59987049

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol (CID 117202042) is 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol is CC(O)C1CSc2ccc(F)cc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is ROTGBPOFMIUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-4,6,9,12H,5H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 198.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 117202042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).