1,2-difluoroethyl sulfite

C2H3F2O3S- — CID 91807531

IUPAC1,2-difluoroethyl sulfite
SMILESO=S([O-])OC(F)CF
InChIInChI=1S/C2H4F2O3S/c3-1-2(4)7-8(5)6/h2H,1H2,(H,5,6)/p-1
InChIKeyXPAPLGJXMKGSOM-UHFFFAOYSA-M
MW145.11 g/mol
LogP0.06
Rot. Bonds3

About 1,2-difluoroethyl sulfite

1,2-difluoroethyl sulfite (PubChem CID 91807531) has the molecular formula C2H3F2O3S- and a molecular weight of 145.11 g/mol. Its IUPAC name is 1,2-difluoroethyl sulfite.

Molecular Properties

Compound Name1,2-difluoroethyl sulfite
PubChem CID91807531
Molecular FormulaC2H3F2O3S-
Molecular Weight145.11 g/mol
Exact Mass144.98
IUPAC Name1,2-difluoroethyl sulfite
SMILESO=S([O-])OC(F)CF
InChIInChI=1S/C2H4F2O3S/c3-1-2(4)7-8(5)6/h2H,1H2,(H,5,6)/p-1
InChIKeyXPAPLGJXMKGSOM-UHFFFAOYSA-M
XLogP0.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethyl sulfite?
The IUPAC name of 1,2-difluoroethyl sulfite (CID 91807531) is 1,2-difluoroethyl sulfite.
What is the SMILES notation for 1,2-difluoroethyl sulfite?
The canonical SMILES for 1,2-difluoroethyl sulfite is O=S([O-])OC(F)CF.
What is the InChIKey of 1,2-difluoroethyl sulfite?
The InChIKey is XPAPLGJXMKGSOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2O3S/c3-1-2(4)7-8(5)6/h2H,1H2,(H,5,6)/p-1.
What are the key properties of 1,2-difluoroethyl sulfite?
1,2-difluoroethyl sulfite has a molecular weight of 145.11 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethyl sulfite is sourced from PubChem (CID 91807531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).