2-fluoroethyl trifluoromethyl sulfate

C3H4F4O4S — CID 166171758

IUPAC2-fluoroethyl trifluoromethyl sulfate
SMILESO=S(=O)(OCCF)OC(F)(F)F
InChIInChI=1S/C3H4F4O4S/c4-1-2-10-12(8,9)11-3(5,6)7/h1-2H2
InChIKeyQSUISOZPSFKUSW-UHFFFAOYSA-N
MW212.12 g/mol
LogP0.75
Rot. Bonds4

About 2-fluoroethyl trifluoromethyl sulfate

2-fluoroethyl trifluoromethyl sulfate (PubChem CID 166171758) has the molecular formula C3H4F4O4S and a molecular weight of 212.12 g/mol. Its IUPAC name is 2-fluoroethyl trifluoromethyl sulfate.

Molecular Properties

Compound Name2-fluoroethyl trifluoromethyl sulfate
PubChem CID166171758
Molecular FormulaC3H4F4O4S
Molecular Weight212.12 g/mol
Exact Mass211.98
IUPAC Name2-fluoroethyl trifluoromethyl sulfate
SMILESO=S(=O)(OCCF)OC(F)(F)F
InChIInChI=1S/C3H4F4O4S/c4-1-2-10-12(8,9)11-3(5,6)7/h1-2H2
InChIKeyQSUISOZPSFKUSW-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl trifluoromethyl sulfate
CID 21270370
2-fluoroethyl propyl sulfate
CID 166171774
trifluoromethyl 2-fluoroethanesulfonate
CID 175574783
1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203
3-[difluoro(methyl)-λ4-sulfanyl]propyl methyl sulfate
CID 170264532
[4-(trifluoromethoxysulfonyloxy)phenyl] trifluoromethyl sulfate
CID 178067798
1,1-difluoro-1-(2-fluoroethoxy)ethane
CID 20789479
azane;2-hydroxyethyl methyl sulfate
CID 87122976
sodium;hydride;trifluoromethyl methanesulfonate
CID 174543711
trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
trifluoromethyl difluoromethanesulfonate
CID 154354026
3-hydroxypropyl methyl sulfate
CID 54367099

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl trifluoromethyl sulfate?
The IUPAC name of 2-fluoroethyl trifluoromethyl sulfate (CID 166171758) is 2-fluoroethyl trifluoromethyl sulfate.
What is the SMILES notation for 2-fluoroethyl trifluoromethyl sulfate?
The canonical SMILES for 2-fluoroethyl trifluoromethyl sulfate is O=S(=O)(OCCF)OC(F)(F)F.
What is the InChIKey of 2-fluoroethyl trifluoromethyl sulfate?
The InChIKey is QSUISOZPSFKUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O4S/c4-1-2-10-12(8,9)11-3(5,6)7/h1-2H2.
What are the key properties of 2-fluoroethyl trifluoromethyl sulfate?
2-fluoroethyl trifluoromethyl sulfate has a molecular weight of 212.12 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl trifluoromethyl sulfate is sourced from PubChem (CID 166171758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).