2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol

C11H11FOS — CID 84677800

IUPAC2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol
SMILESCC(C)(F)c1cc2ccc(O)cc2s1
InChIInChI=1S/C11H11FOS/c1-11(2,12)10-5-7-3-4-8(13)6-9(7)14-10/h3-6,13H,1-2H3
InChIKeyBMFPUYMFWMVDHS-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.81
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol

2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol (PubChem CID 84677800) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol
PubChem CID84677800
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol
SMILESCC(C)(F)c1cc2ccc(O)cc2s1
InChIInChI=1S/C11H11FOS/c1-11(2,12)10-5-7-3-4-8(13)6-9(7)14-10/h3-6,13H,1-2H3
InChIKeyBMFPUYMFWMVDHS-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 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol (CID 84677800) is 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol is CC(C)(F)c1cc2ccc(O)cc2s1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol?
The InChIKey is BMFPUYMFWMVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-11(2,12)10-5-7-3-4-8(13)6-9(7)14-10/h3-6,13H,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol?
2-(2-fluoropropan-2-yl)-1-benzothiophen-6-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 2-(2-fluoropropan-2-yl)-1-benzothiophen-6-ol is sourced from PubChem (CID 84677800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).