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

C9H6ClFOS — CID 130914519

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

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

(6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol (PubChem CID 130914519) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol
PubChem CID130914519
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name(6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cc(Cl)cc(F)c12
InChIInChI=1S/C9H6ClFOS/c10-6-1-7(11)9-5(3-12)4-13-8(9)2-6/h1-2,4,12H,3H2
InChIKeyPQOJHFCGHCJHFU-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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol (CID 130914519) is (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol is OCc1csc2cc(Cl)cc(F)c12.
What is the InChIKey of (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol?
The InChIKey is PQOJHFCGHCJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c10-6-1-7(11)9-5(3-12)4-13-8(9)2-6/h1-2,4,12H,3H2.
What are the key properties of (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol?
(6-chloro-4-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 (6-chloro-4-fluoro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130914519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).