4-(2-fluoroethylsulfonyl)oxane

C7H13FO3S — CID 130660737

IUPAC4-(2-fluoroethylsulfonyl)oxane
SMILESO=S(=O)(CCF)C1CCOCC1
InChIInChI=1S/C7H13FO3S/c8-3-6-12(9,10)7-1-4-11-5-2-7/h7H,1-6H2
InChIKeyJKFNHGUUJFHOLE-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.55
Rot. Bonds3

About 4-(2-fluoroethylsulfonyl)oxane

4-(2-fluoroethylsulfonyl)oxane (PubChem CID 130660737) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfonyl)oxane.

Molecular Properties

Compound Name4-(2-fluoroethylsulfonyl)oxane
PubChem CID130660737
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name4-(2-fluoroethylsulfonyl)oxane
SMILESO=S(=O)(CCF)C1CCOCC1
InChIInChI=1S/C7H13FO3S/c8-3-6-12(9,10)7-1-4-11-5-2-7/h7H,1-6H2
InChIKeyJKFNHGUUJFHOLE-UHFFFAOYSA-N
XLogP0.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfonyl)oxane?
The IUPAC name of 4-(2-fluoroethylsulfonyl)oxane (CID 130660737) is 4-(2-fluoroethylsulfonyl)oxane.
What is the SMILES notation for 4-(2-fluoroethylsulfonyl)oxane?
The canonical SMILES for 4-(2-fluoroethylsulfonyl)oxane is O=S(=O)(CCF)C1CCOCC1.
What is the InChIKey of 4-(2-fluoroethylsulfonyl)oxane?
The InChIKey is JKFNHGUUJFHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-3-6-12(9,10)7-1-4-11-5-2-7/h7H,1-6H2.
What are the key properties of 4-(2-fluoroethylsulfonyl)oxane?
4-(2-fluoroethylsulfonyl)oxane has a molecular weight of 196.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfonyl)oxane is sourced from PubChem (CID 130660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).