7-chloro-4-fluoro-1-benzothiophen-3-ol

C8H4ClFOS — CID 130805777

IUPAC7-chloro-4-fluoro-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)ccc(F)c12
InChIInChI=1S/C8H4ClFOS/c9-4-1-2-5(10)7-6(11)3-12-8(4)7/h1-3,11H
InChIKeyHIXAXEKPBRPQCC-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.40
Rot. Bonds

About 7-chloro-4-fluoro-1-benzothiophen-3-ol

7-chloro-4-fluoro-1-benzothiophen-3-ol (PubChem CID 130805777) has the molecular formula C8H4ClFOS and a molecular weight of 202.64 g/mol. Its IUPAC name is 7-chloro-4-fluoro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-chloro-4-fluoro-1-benzothiophen-3-ol
PubChem CID130805777
Molecular FormulaC8H4ClFOS
Molecular Weight202.64 g/mol
Exact Mass201.97
IUPAC Name7-chloro-4-fluoro-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)ccc(F)c12
InChIInChI=1S/C8H4ClFOS/c9-4-1-2-5(10)7-6(11)3-12-8(4)7/h1-3,11H
InChIKeyHIXAXEKPBRPQCC-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-1-benzothiophen-3-ol?
The IUPAC name of 7-chloro-4-fluoro-1-benzothiophen-3-ol (CID 130805777) is 7-chloro-4-fluoro-1-benzothiophen-3-ol.
What is the SMILES notation for 7-chloro-4-fluoro-1-benzothiophen-3-ol?
The canonical SMILES for 7-chloro-4-fluoro-1-benzothiophen-3-ol is Oc1csc2c(Cl)ccc(F)c12.
What is the InChIKey of 7-chloro-4-fluoro-1-benzothiophen-3-ol?
The InChIKey is HIXAXEKPBRPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFOS/c9-4-1-2-5(10)7-6(11)3-12-8(4)7/h1-3,11H.
What are the key properties of 7-chloro-4-fluoro-1-benzothiophen-3-ol?
7-chloro-4-fluoro-1-benzothiophen-3-ol has a molecular weight of 202.64 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-1-benzothiophen-3-ol is sourced from PubChem (CID 130805777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).