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

C11H13FOS — CID 117200974

IUPAC1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2cc(F)ccc2S1
InChIInChI=1S/C11H13FOS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5,7,10,13H,4,6H2,1H3
InChIKeyLXUJECFAWKHMJA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.61
Rot. Bonds2

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

1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (PubChem CID 117200974) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
PubChem CID117200974
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2cc(F)ccc2S1
InChIInChI=1S/C11H13FOS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5,7,10,13H,4,6H2,1H3
InChIKeyLXUJECFAWKHMJA-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117200980
2-(2-hydroxypropyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117198983
2-[3-chloro-2-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzothiophene
CID 79438075
2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
1-[4-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-2-fluorophenyl]ethanol
CID 107719822
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
CID 142072053
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 79222447
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
CID 105093619
2-methyl-3-[6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propanoic acid
CID 117202710
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
CID 79228408

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (CID 117200974) is 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is CC(O)CC1Cc2cc(F)ccc2S1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is LXUJECFAWKHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5,7,10,13H,4,6H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 2.61, 2 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-2-yl)propan-2-ol is sourced from PubChem (CID 117200974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).