1,1,2,2-tetrafluoroethyl sulfite

C2HF4O3S- — CID 57291652

IUPAC1,1,2,2-tetrafluoroethyl sulfite
SMILESO=S([O-])OC(F)(F)C(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(4)2(5,6)9-10(7)8/h1H,(H,7,8)/p-1
InChIKeyXMHDFBLCVDDUGJ-UHFFFAOYSA-M
MW181.09 g/mol
LogP0.65
Rot. Bonds3

About 1,1,2,2-tetrafluoroethyl sulfite

1,1,2,2-tetrafluoroethyl sulfite (PubChem CID 57291652) has the molecular formula C2HF4O3S- and a molecular weight of 181.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethyl sulfite.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethyl sulfite
PubChem CID57291652
Molecular FormulaC2HF4O3S-
Molecular Weight181.09 g/mol
Exact Mass180.96
IUPAC Name1,1,2,2-tetrafluoroethyl sulfite
SMILESO=S([O-])OC(F)(F)C(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(4)2(5,6)9-10(7)8/h1H,(H,7,8)/p-1
InChIKeyXMHDFBLCVDDUGJ-UHFFFAOYSA-M
XLogP0.65
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethyl sulfite?
The IUPAC name of 1,1,2,2-tetrafluoroethyl sulfite (CID 57291652) is 1,1,2,2-tetrafluoroethyl sulfite.
What is the SMILES notation for 1,1,2,2-tetrafluoroethyl sulfite?
The canonical SMILES for 1,1,2,2-tetrafluoroethyl sulfite is O=S([O-])OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethyl sulfite?
The InChIKey is XMHDFBLCVDDUGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4O3S/c3-1(4)2(5,6)9-10(7)8/h1H,(H,7,8)/p-1.
What are the key properties of 1,1,2,2-tetrafluoroethyl sulfite?
1,1,2,2-tetrafluoroethyl sulfite has a molecular weight of 181.09 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethyl sulfite is sourced from PubChem (CID 57291652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).