(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol

C11H11FOS — CID 131097075

IUPAC(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
SMILESCCc1ccc(CO)c2cc(F)sc12
InChIInChI=1S/C11H11FOS/c1-2-7-3-4-8(6-13)9-5-10(12)14-11(7)9/h3-5,13H,2,6H2,1H3
InChIKeyRHSDDCCILKHAHE-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.10
Rot. Bonds2

About (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol

(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol (PubChem CID 131097075) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
PubChem CID131097075
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
SMILESCCc1ccc(CO)c2cc(F)sc12
InChIInChI=1S/C11H11FOS/c1-2-7-3-4-8(6-13)9-5-10(12)14-11(7)9/h3-5,13H,2,6H2,1H3
InChIKeyRHSDDCCILKHAHE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol (CID 131097075) is (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol is CCc1ccc(CO)c2cc(F)sc12.
What is the InChIKey of (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol?
The InChIKey is RHSDDCCILKHAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-2-7-3-4-8(6-13)9-5-10(12)14-11(7)9/h3-5,13H,2,6H2,1H3.
What are the key properties of (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol?
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol has a molecular weight of 210.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 131097075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).