methyl 2,2,2-trifluoroethyl sulfite

C3H5F3O3S — CID 20665378

IUPACmethyl 2,2,2-trifluoroethyl sulfite
SMILESCOS(=O)OCC(F)(F)F
InChIInChI=1S/C3H5F3O3S/c1-8-10(7)9-2-3(4,5)6/h2H2,1H3
InChIKeyNSEBRJWKQGPPQS-UHFFFAOYSA-N
MW178.13 g/mol
LogP0.79
Rot. Bonds3

About methyl 2,2,2-trifluoroethyl sulfite

methyl 2,2,2-trifluoroethyl sulfite (PubChem CID 20665378) has the molecular formula C3H5F3O3S and a molecular weight of 178.13 g/mol. Its IUPAC name is methyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Namemethyl 2,2,2-trifluoroethyl sulfite
PubChem CID20665378
Molecular FormulaC3H5F3O3S
Molecular Weight178.13 g/mol
Exact Mass177.99
IUPAC Namemethyl 2,2,2-trifluoroethyl sulfite
SMILESCOS(=O)OCC(F)(F)F
InChIInChI=1S/C3H5F3O3S/c1-8-10(7)9-2-3(4,5)6/h2H2,1H3
InChIKeyNSEBRJWKQGPPQS-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of methyl 2,2,2-trifluoroethyl sulfite (CID 20665378) is methyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for methyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for methyl 2,2,2-trifluoroethyl sulfite is COS(=O)OCC(F)(F)F.
What is the InChIKey of methyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is NSEBRJWKQGPPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O3S/c1-8-10(7)9-2-3(4,5)6/h2H2,1H3.
What are the key properties of methyl 2,2,2-trifluoroethyl sulfite?
methyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 178.13 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 20665378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).