7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride

C6H10ClF2NS — CID 131664405

IUPAC7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CSC2(CNC2)C1
InChIInChI=1S/C6H9F2NS.ClH/c7-6(8)1-5(10-4-6)2-9-3-5;/h9H,1-4H2;1H
InChIKeyPSYPHEUCJSVDPT-UHFFFAOYSA-N
MW201.67 g/mol
LogP1.52
Rot. Bonds

About 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride

7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride (PubChem CID 131664405) has the molecular formula C6H10ClF2NS and a molecular weight of 201.67 g/mol. Its IUPAC name is 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride
PubChem CID131664405
Molecular FormulaC6H10ClF2NS
Molecular Weight201.67 g/mol
Exact Mass201.02
IUPAC Name7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1(F)CSC2(CNC2)C1
InChIInChI=1S/C6H9F2NS.ClH/c7-6(8)1-5(10-4-6)2-9-3-5;/h9H,1-4H2;1H
InChIKeyPSYPHEUCJSVDPT-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride (CID 131664405) is 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride is Cl.FC1(F)CSC2(CNC2)C1.
What is the InChIKey of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
The InChIKey is PSYPHEUCJSVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NS.ClH/c7-6(8)1-5(10-4-6)2-9-3-5;/h9H,1-4H2;1H.
What are the key properties of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 131664405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).