methyl 2,2,2-trifluoroethyl sulfate

C3H5F3O4S — CID 13360357

IUPACmethyl 2,2,2-trifluoroethyl sulfate
SMILESCOS(=O)(=O)OCC(F)(F)F
InChIInChI=1S/C3H5F3O4S/c1-9-11(7,8)10-2-3(4,5)6/h2H2,1H3
InChIKeyJVKOIWKZMFKUAQ-UHFFFAOYSA-N
MW194.13 g/mol
LogP0.46
Rot. Bonds3

About methyl 2,2,2-trifluoroethyl sulfate

methyl 2,2,2-trifluoroethyl sulfate (PubChem CID 13360357) has the molecular formula C3H5F3O4S and a molecular weight of 194.13 g/mol. Its IUPAC name is methyl 2,2,2-trifluoroethyl sulfate.

Molecular Properties

Compound Namemethyl 2,2,2-trifluoroethyl sulfate
PubChem CID13360357
Molecular FormulaC3H5F3O4S
Molecular Weight194.13 g/mol
Exact Mass193.99
IUPAC Namemethyl 2,2,2-trifluoroethyl sulfate
SMILESCOS(=O)(=O)OCC(F)(F)F
InChIInChI=1S/C3H5F3O4S/c1-9-11(7,8)10-2-3(4,5)6/h2H2,1H3
InChIKeyJVKOIWKZMFKUAQ-UHFFFAOYSA-N
XLogP0.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2,2,2-trifluoroethyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,2-trifluoroethyl sulfate?
The IUPAC name of methyl 2,2,2-trifluoroethyl sulfate (CID 13360357) is methyl 2,2,2-trifluoroethyl sulfate.
What is the SMILES notation for methyl 2,2,2-trifluoroethyl sulfate?
The canonical SMILES for methyl 2,2,2-trifluoroethyl sulfate is COS(=O)(=O)OCC(F)(F)F.
What is the InChIKey of methyl 2,2,2-trifluoroethyl sulfate?
The InChIKey is JVKOIWKZMFKUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O4S/c1-9-11(7,8)10-2-3(4,5)6/h2H2,1H3.
What are the key properties of methyl 2,2,2-trifluoroethyl sulfate?
methyl 2,2,2-trifluoroethyl sulfate has a molecular weight of 194.13 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,2-trifluoroethyl sulfate is sourced from PubChem (CID 13360357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).