spiro[5.5]undecane-4-sulfonyl fluoride

C11H19FO2S — CID 139363296

IUPACspiro[5.5]undecane-4-sulfonyl fluoride
SMILESO=S(=O)(F)C1CCCC2(CCCCC2)C1
InChIInChI=1S/C11H19FO2S/c12-15(13,14)10-5-4-8-11(9-10)6-2-1-3-7-11/h10H,1-9H2
InChIKeyCTXMVJPKRGQPQF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.18
Rot. Bonds1

About spiro[5.5]undecane-4-sulfonyl fluoride

spiro[5.5]undecane-4-sulfonyl fluoride (PubChem CID 139363296) has the molecular formula C11H19FO2S and a molecular weight of 234.34 g/mol. Its IUPAC name is spiro[5.5]undecane-4-sulfonyl fluoride.

Molecular Properties

Compound Namespiro[5.5]undecane-4-sulfonyl fluoride
PubChem CID139363296
Molecular FormulaC11H19FO2S
Molecular Weight234.34 g/mol
Exact Mass234.11
IUPAC Namespiro[5.5]undecane-4-sulfonyl fluoride
SMILESO=S(=O)(F)C1CCCC2(CCCCC2)C1
InChIInChI=1S/C11H19FO2S/c12-15(13,14)10-5-4-8-11(9-10)6-2-1-3-7-11/h10H,1-9H2
InChIKeyCTXMVJPKRGQPQF-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[5.5]undecane-4-sulfonyl fluoride 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 spiro[5.5]undecane-4-sulfonyl fluoride?
The IUPAC name of spiro[5.5]undecane-4-sulfonyl fluoride (CID 139363296) is spiro[5.5]undecane-4-sulfonyl fluoride.
What is the SMILES notation for spiro[5.5]undecane-4-sulfonyl fluoride?
The canonical SMILES for spiro[5.5]undecane-4-sulfonyl fluoride is O=S(=O)(F)C1CCCC2(CCCCC2)C1.
What is the InChIKey of spiro[5.5]undecane-4-sulfonyl fluoride?
The InChIKey is CTXMVJPKRGQPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2S/c12-15(13,14)10-5-4-8-11(9-10)6-2-1-3-7-11/h10H,1-9H2.
What are the key properties of spiro[5.5]undecane-4-sulfonyl fluoride?
spiro[5.5]undecane-4-sulfonyl fluoride has a molecular weight of 234.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecane-4-sulfonyl fluoride is sourced from PubChem (CID 139363296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).