2,2,2-trifluoroethyl trifluoromethyl sulfite

C3H2F6O3S — CID 87155638

IUPAC2,2,2-trifluoroethyl trifluoromethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C3H2F6O3S/c4-2(5,6)1-11-13(10)12-3(7,8)9/h1H2
InChIKeyUHKOJWGREOWSBD-UHFFFAOYSA-N
MW232.10 g/mol
LogP1.68
Rot. Bonds3

About 2,2,2-trifluoroethyl trifluoromethyl sulfite

2,2,2-trifluoroethyl trifluoromethyl sulfite (PubChem CID 87155638) has the molecular formula C3H2F6O3S and a molecular weight of 232.10 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl trifluoromethyl sulfite.

Molecular Properties

Compound Name2,2,2-trifluoroethyl trifluoromethyl sulfite
PubChem CID87155638
Molecular FormulaC3H2F6O3S
Molecular Weight232.10 g/mol
Exact Mass231.96
IUPAC Name2,2,2-trifluoroethyl trifluoromethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C3H2F6O3S/c4-2(5,6)1-11-13(10)12-3(7,8)9/h1H2
InChIKeyUHKOJWGREOWSBD-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl trifluoromethyl sulfite?
The IUPAC name of 2,2,2-trifluoroethyl trifluoromethyl sulfite (CID 87155638) is 2,2,2-trifluoroethyl trifluoromethyl sulfite.
What is the SMILES notation for 2,2,2-trifluoroethyl trifluoromethyl sulfite?
The canonical SMILES for 2,2,2-trifluoroethyl trifluoromethyl sulfite is O=S(OCC(F)(F)F)OC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl trifluoromethyl sulfite?
The InChIKey is UHKOJWGREOWSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O3S/c4-2(5,6)1-11-13(10)12-3(7,8)9/h1H2.
What are the key properties of 2,2,2-trifluoroethyl trifluoromethyl sulfite?
2,2,2-trifluoroethyl trifluoromethyl sulfite has a molecular weight of 232.10 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl trifluoromethyl sulfite is sourced from PubChem (CID 87155638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).