1,1-difluoroethylsulfonyl sulfite

C2H3F2O5S2- — CID 167019443

IUPAC1,1-difluoroethylsulfonyl sulfite
SMILESCC(F)(F)S(=O)(=O)OS(=O)[O-]
InChIInChI=1S/C2H4F2O5S2/c1-2(3,4)11(7,8)9-10(5)6/h1H3,(H,5,6)/p-1
InChIKeyKWDDVTYJHSOPPG-UHFFFAOYSA-M
MW209.17 g/mol
LogP-0.26
Rot. Bonds3

About 1,1-difluoroethylsulfonyl sulfite

1,1-difluoroethylsulfonyl sulfite (PubChem CID 167019443) has the molecular formula C2H3F2O5S2- and a molecular weight of 209.17 g/mol. Its IUPAC name is 1,1-difluoroethylsulfonyl sulfite.

Molecular Properties

Compound Name1,1-difluoroethylsulfonyl sulfite
PubChem CID167019443
Molecular FormulaC2H3F2O5S2-
Molecular Weight209.17 g/mol
Exact Mass208.94
IUPAC Name1,1-difluoroethylsulfonyl sulfite
SMILESCC(F)(F)S(=O)(=O)OS(=O)[O-]
InChIInChI=1S/C2H4F2O5S2/c1-2(3,4)11(7,8)9-10(5)6/h1H3,(H,5,6)/p-1
InChIKeyKWDDVTYJHSOPPG-UHFFFAOYSA-M
XLogP-0.26
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1,1-difluoroethylsulfonyl sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
chlorosulfonyl sulfite
CID 174502663
sodium 1,1-difluoroethanesulfinate
CID 117065045
ethoxysulfonyl sulfite
CID 57240233
tert-butyl trifluoromethanesulfonate;copper
CID 175096484
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
ethenylsulfonyl sulfite
CID 118684485
samarium(3+);tris(trifluoromethyl sulfite)
CID 58114423
sulfuric acid;trifluoromethanesulfinate
CID 175095514
ethane;trifluoromethanesulfinate
CID 89437311
sodium;hydride;trifluoromethyl methanesulfonate
CID 174543711

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylsulfonyl sulfite?
The IUPAC name of 1,1-difluoroethylsulfonyl sulfite (CID 167019443) is 1,1-difluoroethylsulfonyl sulfite.
What is the SMILES notation for 1,1-difluoroethylsulfonyl sulfite?
The canonical SMILES for 1,1-difluoroethylsulfonyl sulfite is CC(F)(F)S(=O)(=O)OS(=O)[O-].
What is the InChIKey of 1,1-difluoroethylsulfonyl sulfite?
The InChIKey is KWDDVTYJHSOPPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2O5S2/c1-2(3,4)11(7,8)9-10(5)6/h1H3,(H,5,6)/p-1.
What are the key properties of 1,1-difluoroethylsulfonyl sulfite?
1,1-difluoroethylsulfonyl sulfite has a molecular weight of 209.17 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylsulfonyl sulfite is sourced from PubChem (CID 167019443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).