8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C7H12FNO2S — CID 71306167

IUPAC8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(CF)C12CNC2
InChIInChI=1S/C7H12FNO2S/c8-3-6-1-2-12(10,11)7(6)4-9-5-7/h6,9H,1-5H2
InChIKeyJUNQYQYRTYSPFW-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.27
Rot. Bonds1

About 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 71306167) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID71306167
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(CF)C12CNC2
InChIInChI=1S/C7H12FNO2S/c8-3-6-1-2-12(10,11)7(6)4-9-5-7/h6,9H,1-5H2
InChIKeyJUNQYQYRTYSPFW-UHFFFAOYSA-N
XLogP-0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide 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 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 71306167) is 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is O=S1(=O)CCC(CF)C12CNC2.
What is the InChIKey of 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is JUNQYQYRTYSPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c8-3-6-1-2-12(10,11)7(6)4-9-5-7/h6,9H,1-5H2.
What are the key properties of 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 193.24 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 71306167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).