ethyl 2,2,2-trifluoroethyl sulfate

C4H7F3O4S — CID 22001137

IUPACethyl 2,2,2-trifluoroethyl sulfate
SMILESCCOS(=O)(=O)OCC(F)(F)F
InChIInChI=1S/C4H7F3O4S/c1-2-10-12(8,9)11-3-4(5,6)7/h2-3H2,1H3
InChIKeyKIHHBRJEASXIDT-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.85
Rot. Bonds4

About ethyl 2,2,2-trifluoroethyl sulfate

ethyl 2,2,2-trifluoroethyl sulfate (PubChem CID 22001137) has the molecular formula C4H7F3O4S and a molecular weight of 208.16 g/mol. Its IUPAC name is ethyl 2,2,2-trifluoroethyl sulfate.

Molecular Properties

Compound Nameethyl 2,2,2-trifluoroethyl sulfate
PubChem CID22001137
Molecular FormulaC4H7F3O4S
Molecular Weight208.16 g/mol
Exact Mass208.00
IUPAC Nameethyl 2,2,2-trifluoroethyl sulfate
SMILESCCOS(=O)(=O)OCC(F)(F)F
InChIInChI=1S/C4H7F3O4S/c1-2-10-12(8,9)11-3-4(5,6)7/h2-3H2,1H3
InChIKeyKIHHBRJEASXIDT-UHFFFAOYSA-N
XLogP0.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 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

Related Compounds

Sulfuric acid, bis(2-fluoroethyl) ester
CID 67838
Trifluorovinyl ethyl sulfate
CID 87155642
b-Fluoroethyl fluorosulfate
CID 129811281
Bis(2,2,3,3-tetrafluoropropyl) sulphate
CID 2736068
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
Methyl 2,2,2-trifluoroethyl sulfate
CID 13360357
Methyl 2,2,2-trifluoroethyl sulfite
CID 20665378
Ethyl 1,1,2,2,3,3,4,4,4-nonafluorobutyl sulfate
CID 87154412
Ethyl 2,2,3,3,3-pentafluoropropyl sulfate
CID 87154787
Ethyl 1,2,2-trifluoroethenyl sulfite
CID 87154829
Methyl 3,3,3-trifluoropropyl sulfite
CID 87154870
1-Fluoroethyl methyl sulfate
CID 87154966

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,2-trifluoroethyl sulfate?
The IUPAC name of ethyl 2,2,2-trifluoroethyl sulfate (CID 22001137) is ethyl 2,2,2-trifluoroethyl sulfate.
What is the SMILES notation for ethyl 2,2,2-trifluoroethyl sulfate?
The canonical SMILES for ethyl 2,2,2-trifluoroethyl sulfate is CCOS(=O)(=O)OCC(F)(F)F.
What is the InChIKey of ethyl 2,2,2-trifluoroethyl sulfate?
The InChIKey is KIHHBRJEASXIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O4S/c1-2-10-12(8,9)11-3-4(5,6)7/h2-3H2,1H3.
What are the key properties of ethyl 2,2,2-trifluoroethyl sulfate?
ethyl 2,2,2-trifluoroethyl sulfate has a molecular weight of 208.16 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,2-trifluoroethyl sulfate is sourced from PubChem (CID 22001137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).