9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane

C15H19FO3S — CID 79922537

IUPAC9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19FO3S/c16-12-3-5-13(6-4-12)20(17,18)14-7-10-19-15(11-14)8-1-2-9-15/h3-6,14H,1-2,7-11H2
InChIKeyGAODJDMXKKDAMG-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.09
Rot. Bonds2

About 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane

9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane (PubChem CID 79922537) has the molecular formula C15H19FO3S and a molecular weight of 298.38 g/mol. Its IUPAC name is 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane
PubChem CID79922537
Molecular FormulaC15H19FO3S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(F)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19FO3S/c16-12-3-5-13(6-4-12)20(17,18)14-7-10-19-15(11-14)8-1-2-9-15/h3-6,14H,1-2,7-11H2
InChIKeyGAODJDMXKKDAMG-UHFFFAOYSA-N
XLogP3.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane?
The IUPAC name of 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane (CID 79922537) is 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane is O=S(=O)(c1ccc(F)cc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane?
The InChIKey is GAODJDMXKKDAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3S/c16-12-3-5-13(6-4-12)20(17,18)14-7-10-19-15(11-14)8-1-2-9-15/h3-6,14H,1-2,7-11H2.
What are the key properties of 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane?
9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane has a molecular weight of 298.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)sulfonyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 79922537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).