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

C9H6ClFOS — CID 130925663

IUPAC(4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(Cl)ccc(F)c2s1
InChIInChI=1S/C9H6ClFOS/c10-7-1-2-8(11)9-6(7)3-5(4-12)13-9/h1-3,12H,4H2
InChIKeyIDLHIOCUOIKSNB-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.19
Rot. Bonds1

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

(4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 130925663) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID130925663
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name(4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(Cl)ccc(F)c2s1
InChIInChI=1S/C9H6ClFOS/c10-7-1-2-8(11)9-6(7)3-5(4-12)13-9/h1-3,12H,4H2
InChIKeyIDLHIOCUOIKSNB-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 (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol (CID 130925663) is (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol is OCc1cc2c(Cl)ccc(F)c2s1.
What is the InChIKey of (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is IDLHIOCUOIKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c10-7-1-2-8(11)9-6(7)3-5(4-12)13-9/h1-3,12H,4H2.
What are the key properties of (4-chloro-7-fluoro-1-benzothiophen-2-yl)methanol?
(4-chloro-7-fluoro-1-benzothiophen-2-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-7-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130925663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).