4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide

C8H13F2NO2S — CID 115034951

IUPAC4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
SMILESO=S1(=O)CCC2(CC1)NCCC2(F)F
InChIInChI=1S/C8H13F2NO2S/c9-8(10)1-4-11-7(8)2-5-14(12,13)6-3-7/h11H,1-6H2
InChIKeyFVCBYFKVCXUYIJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.56
Rot. Bonds

About 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide

4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide (PubChem CID 115034951) has the molecular formula C8H13F2NO2S and a molecular weight of 225.26 g/mol. Its IUPAC name is 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide.

Molecular Properties

Compound Name4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
PubChem CID115034951
Molecular FormulaC8H13F2NO2S
Molecular Weight225.26 g/mol
Exact Mass225.06
IUPAC Name4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
SMILESO=S1(=O)CCC2(CC1)NCCC2(F)F
InChIInChI=1S/C8H13F2NO2S/c9-8(10)1-4-11-7(8)2-5-14(12,13)6-3-7/h11H,1-6H2
InChIKeyFVCBYFKVCXUYIJ-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

4,4-difluoro-1-azaspiro[4.4]nonane
CID 83856346
7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
CID 155896929
5,5-difluoro-1-azaspiro[5.6]dodecane
CID 155973408
(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
CID 124509901
tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
CID 115053505
2,2-difluoroazetidine
CID 68750416
(4-fluoro-1,1-dioxothian-4-yl)methanol
CID 126845686
3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
CID 115013960
(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
CID 124509913
8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide;hydrochloride
CID 138040668
9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
CID 115047183
4-methyl-1,1-dioxothian-4-amine
CID 58641892

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide?
The IUPAC name of 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide (CID 115034951) is 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide.
What is the SMILES notation for 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide?
The canonical SMILES for 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide is O=S1(=O)CCC2(CC1)NCCC2(F)F.
What is the InChIKey of 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide?
The InChIKey is FVCBYFKVCXUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2S/c9-8(10)1-4-11-7(8)2-5-14(12,13)6-3-7/h11H,1-6H2.
What are the key properties of 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide?
4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide has a molecular weight of 225.26 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide is sourced from PubChem (CID 115034951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).