2-(oxan-4-yl)propane-1-sulfonyl fluoride

C8H15FO3S — CID 115026936

IUPAC2-(oxan-4-yl)propane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C1CCOCC1
InChIInChI=1S/C8H15FO3S/c1-7(6-13(9,10)11)8-2-4-12-5-3-8/h7-8H,2-6H2,1H3
InChIKeyWWKODYULZRETBQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.35
Rot. Bonds3

About 2-(oxan-4-yl)propane-1-sulfonyl fluoride

2-(oxan-4-yl)propane-1-sulfonyl fluoride (PubChem CID 115026936) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-(oxan-4-yl)propane-1-sulfonyl fluoride
PubChem CID115026936
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name2-(oxan-4-yl)propane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C1CCOCC1
InChIInChI=1S/C8H15FO3S/c1-7(6-13(9,10)11)8-2-4-12-5-3-8/h7-8H,2-6H2,1H3
InChIKeyWWKODYULZRETBQ-UHFFFAOYSA-N
XLogP1.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)propane-1-sulfonyl fluoride?
The IUPAC name of 2-(oxan-4-yl)propane-1-sulfonyl fluoride (CID 115026936) is 2-(oxan-4-yl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 2-(oxan-4-yl)propane-1-sulfonyl fluoride?
The canonical SMILES for 2-(oxan-4-yl)propane-1-sulfonyl fluoride is CC(CS(=O)(=O)F)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)propane-1-sulfonyl fluoride?
The InChIKey is WWKODYULZRETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-7(6-13(9,10)11)8-2-4-12-5-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(oxan-4-yl)propane-1-sulfonyl fluoride?
2-(oxan-4-yl)propane-1-sulfonyl fluoride has a molecular weight of 210.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 115026936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).