2-fluorosulfonyloxybutane

C4H9FO3S — CID 167159627

IUPAC2-fluorosulfonyloxybutane
SMILESCCC(C)OS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3
InChIKeyBCNYMTUANDVCTM-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.02
Rot. Bonds3

About 2-fluorosulfonyloxybutane

2-fluorosulfonyloxybutane (PubChem CID 167159627) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-fluorosulfonyloxybutane.

Molecular Properties

Compound Name2-fluorosulfonyloxybutane
PubChem CID167159627
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name2-fluorosulfonyloxybutane
SMILESCCC(C)OS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3
InChIKeyBCNYMTUANDVCTM-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluorosulfonyloxybutane?
The IUPAC name of 2-fluorosulfonyloxybutane (CID 167159627) is 2-fluorosulfonyloxybutane.
What is the SMILES notation for 2-fluorosulfonyloxybutane?
The canonical SMILES for 2-fluorosulfonyloxybutane is CCC(C)OS(=O)(=O)F.
What is the InChIKey of 2-fluorosulfonyloxybutane?
The InChIKey is BCNYMTUANDVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3.
What are the key properties of 2-fluorosulfonyloxybutane?
2-fluorosulfonyloxybutane has a molecular weight of 156.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorosulfonyloxybutane is sourced from PubChem (CID 167159627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).