9,9-difluoro-2-thia-6-azaspiro[4.5]decane

C8H13F2NS — CID 115019468

IUPAC9,9-difluoro-2-thia-6-azaspiro[4.5]decane
SMILESFC1(F)CCNC2(CCSC2)C1
InChIInChI=1S/C8H13F2NS/c9-8(10)1-3-11-7(5-8)2-4-12-6-7/h11H,1-6H2
InChIKeyCNIFZWOFJHBKSF-UHFFFAOYSA-N
MW193.26 g/mol
LogP1.88
Rot. Bonds

About 9,9-difluoro-2-thia-6-azaspiro[4.5]decane

9,9-difluoro-2-thia-6-azaspiro[4.5]decane (PubChem CID 115019468) has the molecular formula C8H13F2NS and a molecular weight of 193.26 g/mol. Its IUPAC name is 9,9-difluoro-2-thia-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name9,9-difluoro-2-thia-6-azaspiro[4.5]decane
PubChem CID115019468
Molecular FormulaC8H13F2NS
Molecular Weight193.26 g/mol
Exact Mass193.07
IUPAC Name9,9-difluoro-2-thia-6-azaspiro[4.5]decane
SMILESFC1(F)CCNC2(CCSC2)C1
InChIInChI=1S/C8H13F2NS/c9-8(10)1-3-11-7(5-8)2-4-12-6-7/h11H,1-6H2
InChIKeyCNIFZWOFJHBKSF-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9,9-difluoro-2-thia-6-azaspiro[4.5]decane 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 9,9-difluoro-2-thia-6-azaspiro[4.5]decane?
The IUPAC name of 9,9-difluoro-2-thia-6-azaspiro[4.5]decane (CID 115019468) is 9,9-difluoro-2-thia-6-azaspiro[4.5]decane.
What is the SMILES notation for 9,9-difluoro-2-thia-6-azaspiro[4.5]decane?
The canonical SMILES for 9,9-difluoro-2-thia-6-azaspiro[4.5]decane is FC1(F)CCNC2(CCSC2)C1.
What is the InChIKey of 9,9-difluoro-2-thia-6-azaspiro[4.5]decane?
The InChIKey is CNIFZWOFJHBKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NS/c9-8(10)1-3-11-7(5-8)2-4-12-6-7/h11H,1-6H2.
What are the key properties of 9,9-difluoro-2-thia-6-azaspiro[4.5]decane?
9,9-difluoro-2-thia-6-azaspiro[4.5]decane has a molecular weight of 193.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-2-thia-6-azaspiro[4.5]decane is sourced from PubChem (CID 115019468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).