(6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol

C9H6ClFOS — CID 130898501

IUPAC(6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol
SMILESOCc1cc2ccsc2c(F)c1Cl
InChIInChI=1S/C9H6ClFOS/c10-7-6(4-12)3-5-1-2-13-9(5)8(7)11/h1-3,12H,4H2
InChIKeyNJBVNNFRHKQZJF-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.19
Rot. Bonds1

About (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol

(6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol (PubChem CID 130898501) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol
PubChem CID130898501
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name(6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol
SMILESOCc1cc2ccsc2c(F)c1Cl
InChIInChI=1S/C9H6ClFOS/c10-7-6(4-12)3-5-1-2-13-9(5)8(7)11/h1-3,12H,4H2
InChIKeyNJBVNNFRHKQZJF-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-7-fluoro-1-benzothiophen-5-yl)methanol?
The IUPAC name of (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol (CID 130898501) is (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol is OCc1cc2ccsc2c(F)c1Cl.
What is the InChIKey of (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol?
The InChIKey is NJBVNNFRHKQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c10-7-6(4-12)3-5-1-2-13-9(5)8(7)11/h1-3,12H,4H2.
What are the key properties of (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol?
(6-chloro-7-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 (6-chloro-7-fluoro-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130898501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).