2,2,2-trifluoroethyl sulfite

C2H2F3O3S- — CID 14381801

IUPAC2,2,2-trifluoroethyl sulfite
SMILESO=S([O-])OCC(F)(F)F
InChIInChI=1S/C2H3F3O3S/c3-2(4,5)1-8-9(6)7/h1H2,(H,6,7)/p-1
InChIKeyKOXPWRAICCZKDR-UHFFFAOYSA-M
MW163.10 g/mol
LogP0.36
Rot. Bonds2

About 2,2,2-trifluoroethyl sulfite

2,2,2-trifluoroethyl sulfite (PubChem CID 14381801) has the molecular formula C2H2F3O3S- and a molecular weight of 163.10 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name2,2,2-trifluoroethyl sulfite
PubChem CID14381801
Molecular FormulaC2H2F3O3S-
Molecular Weight163.10 g/mol
Exact Mass162.97
IUPAC Name2,2,2-trifluoroethyl sulfite
SMILESO=S([O-])OCC(F)(F)F
InChIInChI=1S/C2H3F3O3S/c3-2(4,5)1-8-9(6)7/h1H2,(H,6,7)/p-1
InChIKeyKOXPWRAICCZKDR-UHFFFAOYSA-M
XLogP0.36
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 50.36
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 2,2,2-trifluoroethyl sulfite?
The IUPAC name of 2,2,2-trifluoroethyl sulfite (CID 14381801) is 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for 2,2,2-trifluoroethyl sulfite is O=S([O-])OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl sulfite?
The InChIKey is KOXPWRAICCZKDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3F3O3S/c3-2(4,5)1-8-9(6)7/h1H2,(H,6,7)/p-1.
What are the key properties of 2,2,2-trifluoroethyl sulfite?
2,2,2-trifluoroethyl sulfite has a molecular weight of 163.10 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 14381801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).