3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol

C11H11FOS — CID 84677797

IUPAC3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol
SMILESCC(C)(F)c1csc2ccc(O)cc12
InChIInChI=1S/C11H11FOS/c1-11(2,12)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,13H,1-2H3
InChIKeyFRRKVPHOAKNBMI-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.81
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol

3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol (PubChem CID 84677797) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol
PubChem CID84677797
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol
SMILESCC(C)(F)c1csc2ccc(O)cc12
InChIInChI=1S/C11H11FOS/c1-11(2,12)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,13H,1-2H3
InChIKeyFRRKVPHOAKNBMI-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol (CID 84677797) is 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol is CC(C)(F)c1csc2ccc(O)cc12.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol?
The InChIKey is FRRKVPHOAKNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-11(2,12)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,13H,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol?
3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol has a molecular weight of 210.27 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1-benzothiophen-5-ol is sourced from PubChem (CID 84677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).