1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol

C11H11FOS — CID 117120021

IUPAC1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)Cc1cc2c(F)cccc2s1
InChIInChI=1S/C11H11FOS/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,6-7,13H,5H2,1H3
InChIKeyRSWGXQHRADPCSD-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol

1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol (PubChem CID 117120021) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
PubChem CID117120021
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)Cc1cc2c(F)cccc2s1
InChIInChI=1S/C11H11FOS/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,6-7,13H,5H2,1H3
InChIKeyRSWGXQHRADPCSD-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420
(4-fluoro-1-benzothiophen-2-yl)methyl-propan-2-yloxyphosphinous acid
CID 71160070
3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 117120043
1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine
CID 117172774
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
2-(propan-2-ylsulfanylmethyl)-1-benzothiophen-4-amine
CID 117172912
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol (CID 117120021) is 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol is CC(O)Cc1cc2c(F)cccc2s1.
What is the InChIKey of 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is RSWGXQHRADPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol?
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 117120021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).