ethyl trifluoromethyl sulfate

C3H5F3O4S — CID 87155643

IUPACethyl trifluoromethyl sulfate
SMILESCCOS(=O)(=O)OC(F)(F)F
InChIInChI=1S/C3H5F3O4S/c1-2-9-11(7,8)10-3(4,5)6/h2H2,1H3
InChIKeyNCWLHIHTHDXJHV-UHFFFAOYSA-N
MW194.13 g/mol
LogP0.80
Rot. Bonds3

About ethyl trifluoromethyl sulfate

ethyl trifluoromethyl sulfate (PubChem CID 87155643) has the molecular formula C3H5F3O4S and a molecular weight of 194.13 g/mol. Its IUPAC name is ethyl trifluoromethyl sulfate.

Molecular Properties

Compound Nameethyl trifluoromethyl sulfate
PubChem CID87155643
Molecular FormulaC3H5F3O4S
Molecular Weight194.13 g/mol
Exact Mass193.99
IUPAC Nameethyl trifluoromethyl sulfate
SMILESCCOS(=O)(=O)OC(F)(F)F
InChIInChI=1S/C3H5F3O4S/c1-2-9-11(7,8)10-3(4,5)6/h2H2,1H3
InChIKeyNCWLHIHTHDXJHV-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoroethyl trifluoromethyl sulfate
CID 21270370
Trifluorovinyl ethyl sulfate
CID 87155642
Ethyl fluosulfate
CID 88599587
2,2-Difluoroethyl hydrogen sulfate
CID 118676364
b-Fluoroethyl fluorosulfate
CID 129811281
[(2S)-1,1,1-trifluoropropan-2-yl] sulfate
CID 178326879
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
Methyl 2,2,2-trifluoroethyl sulfate
CID 13360357
2,2-Difluoropropyl sulfite
CID 17910071
Methyl 2,2,2-trifluoroethyl sulfite
CID 20665378
Ethyl 2,2,2-trifluoroethyl sulfate
CID 22001137
1-Fluoro-1-fluorosulfonyloxyethane
CID 24976026

Frequently Asked Questions

What is the IUPAC name of ethyl trifluoromethyl sulfate?
The IUPAC name of ethyl trifluoromethyl sulfate (CID 87155643) is ethyl trifluoromethyl sulfate.
What is the SMILES notation for ethyl trifluoromethyl sulfate?
The canonical SMILES for ethyl trifluoromethyl sulfate is CCOS(=O)(=O)OC(F)(F)F.
What is the InChIKey of ethyl trifluoromethyl sulfate?
The InChIKey is NCWLHIHTHDXJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O4S/c1-2-9-11(7,8)10-3(4,5)6/h2H2,1H3.
What are the key properties of ethyl trifluoromethyl sulfate?
ethyl trifluoromethyl sulfate has a molecular weight of 194.13 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl trifluoromethyl sulfate is sourced from PubChem (CID 87155643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).