2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol

C11H11FOS — CID 117122437

IUPAC2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
SMILESCC(CO)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H11FOS/c1-7(6-13)10-4-8-2-3-9(12)5-11(8)14-10/h2-5,7,13H,6H2,1H3
InChIKeyIRJGVDFLHONDSI-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.14
Rot. Bonds2

About 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol

2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol (PubChem CID 117122437) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
PubChem CID117122437
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
SMILESCC(CO)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H11FOS/c1-7(6-13)10-4-8-2-3-9(12)5-11(8)14-10/h2-5,7,13H,6H2,1H3
InChIKeyIRJGVDFLHONDSI-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
methyl 2-amino-2-(6-fluoro-1-benzothiophen-2-yl)acetate
CID 115072235

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol (CID 117122437) is 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol is CC(CO)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol?
The InChIKey is IRJGVDFLHONDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-7(6-13)10-4-8-2-3-9(12)5-11(8)14-10/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol?
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 117122437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).