(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol

C9H6ClFOS — CID 130805781

IUPAC(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol
SMILESOCc1cc2cc(Cl)sc2cc1F
InChIInChI=1S/C9H6ClFOS/c10-9-2-5-1-6(4-12)7(11)3-8(5)13-9/h1-3,12H,4H2
InChIKeyHBEUKIYQEUGPAK-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.19
Rot. Bonds1

About (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol

(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol (PubChem CID 130805781) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol
PubChem CID130805781
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol
SMILESOCc1cc2cc(Cl)sc2cc1F
InChIInChI=1S/C9H6ClFOS/c10-9-2-5-1-6(4-12)7(11)3-8(5)13-9/h1-3,12H,4H2
InChIKeyHBEUKIYQEUGPAK-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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Related Compounds

2-chloro-5-ethyl-6-fluoro-1-benzothiophene
CID 131080280
6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
CID 131197603
2-chlorothieno[3,2-c]pyridine-6-carboxylic acid
CID 84679920
(2,6-dibromo-1-benzothiophen-5-yl)methanol
CID 130785805
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol
CID 131002183
[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130820875
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
2-chlorothieno[2,3-d]pyridazine
CID 67948177
6-(chloromethyl)-5-fluoro-1-benzothiophene-2-thiol
CID 130884355
(6-fluoro-1H-indazol-5-yl)methanol
CID 76846377

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol?
The IUPAC name of (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol (CID 130805781) is (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol is OCc1cc2cc(Cl)sc2cc1F.
What is the InChIKey of (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol?
The InChIKey is HBEUKIYQEUGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c10-9-2-5-1-6(4-12)7(11)3-8(5)13-9/h1-3,12H,4H2.
What are the key properties of (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol?
(2-chloro-6-fluoro-1-benzothiophen-5-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 (2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130805781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).