(4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol

C9H6ClFOS — CID 130865404

IUPAC(4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cc(F)cc(Cl)c12
InChIInChI=1S/C9H6ClFOS/c10-7-1-6(11)2-8-9(7)5(3-12)4-13-8/h1-2,4,12H,3H2
InChIKeyLTFISWFRPDDTTK-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.19
Rot. Bonds1

About (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol

(4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol (PubChem CID 130865404) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol
PubChem CID130865404
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name(4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cc(F)cc(Cl)c12
InChIInChI=1S/C9H6ClFOS/c10-7-1-6(11)2-8-9(7)5(3-12)4-13-8/h1-2,4,12H,3H2
InChIKeyLTFISWFRPDDTTK-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol (CID 130865404) is (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol is OCc1csc2cc(F)cc(Cl)c12.
What is the InChIKey of (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol?
The InChIKey is LTFISWFRPDDTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c10-7-1-6(11)2-8-9(7)5(3-12)4-13-8/h1-2,4,12H,3H2.
What are the key properties of (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol?
(4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol has a molecular weight of 216.66 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-fluoro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130865404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).