2-chlorosulfonyloxy-1,1-difluoroethane

C2H3ClF2O3S — CID 75480960

IUPAC2-chlorosulfonyloxy-1,1-difluoroethane
SMILESO=S(=O)(Cl)OCC(F)F
InChIInChI=1S/C2H3ClF2O3S/c3-9(6,7)8-1-2(4)5/h2H,1H2
InChIKeyNONAHOGDIIMTIV-UHFFFAOYSA-N
MW180.56 g/mol
LogP0.75
Rot. Bonds3

About 2-chlorosulfonyloxy-1,1-difluoroethane

2-chlorosulfonyloxy-1,1-difluoroethane (PubChem CID 75480960) has the molecular formula C2H3ClF2O3S and a molecular weight of 180.56 g/mol. Its IUPAC name is 2-chlorosulfonyloxy-1,1-difluoroethane.

Molecular Properties

Compound Name2-chlorosulfonyloxy-1,1-difluoroethane
PubChem CID75480960
Molecular FormulaC2H3ClF2O3S
Molecular Weight180.56 g/mol
Exact Mass179.95
IUPAC Name2-chlorosulfonyloxy-1,1-difluoroethane
SMILESO=S(=O)(Cl)OCC(F)F
InChIInChI=1S/C2H3ClF2O3S/c3-9(6,7)8-1-2(4)5/h2H,1H2
InChIKeyNONAHOGDIIMTIV-UHFFFAOYSA-N
XLogP0.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.56
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonyloxy-1,1-difluoroethane?
The IUPAC name of 2-chlorosulfonyloxy-1,1-difluoroethane (CID 75480960) is 2-chlorosulfonyloxy-1,1-difluoroethane.
What is the SMILES notation for 2-chlorosulfonyloxy-1,1-difluoroethane?
The canonical SMILES for 2-chlorosulfonyloxy-1,1-difluoroethane is O=S(=O)(Cl)OCC(F)F.
What is the InChIKey of 2-chlorosulfonyloxy-1,1-difluoroethane?
The InChIKey is NONAHOGDIIMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2O3S/c3-9(6,7)8-1-2(4)5/h2H,1H2.
What are the key properties of 2-chlorosulfonyloxy-1,1-difluoroethane?
2-chlorosulfonyloxy-1,1-difluoroethane has a molecular weight of 180.56 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonyloxy-1,1-difluoroethane is sourced from PubChem (CID 75480960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).