1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol

C11H13FOS — CID 117198528

IUPAC1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2c(F)cccc2S1
InChIInChI=1S/C11H13FOS/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,7-8,13H,5-6H2,1H3
InChIKeyCBARIWZOGGXHDE-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.61
Rot. Bonds2

About 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol

1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (PubChem CID 117198528) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
PubChem CID117198528
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2c(F)cccc2S1
InChIInChI=1S/C11H13FOS/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,7-8,13H,5-6H2,1H3
InChIKeyCBARIWZOGGXHDE-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol (CID 117198528) is 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is CC(O)CC1Cc2c(F)cccc2S1.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is CBARIWZOGGXHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 1-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol?
1-(4-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-(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 117198528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).