2,2,2-trifluoroethyl trifluoromethyl sulfate

C3H2F6O4S — CID 21270370

IUPAC2,2,2-trifluoroethyl trifluoromethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C3H2F6O4S/c4-2(5,6)1-12-14(10,11)13-3(7,8)9/h1H2
InChIKeyABGVORVZEBCOPF-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.35
Rot. Bonds3

About 2,2,2-trifluoroethyl trifluoromethyl sulfate

2,2,2-trifluoroethyl trifluoromethyl sulfate (PubChem CID 21270370) has the molecular formula C3H2F6O4S and a molecular weight of 248.10 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl trifluoromethyl sulfate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl trifluoromethyl sulfate
PubChem CID21270370
Molecular FormulaC3H2F6O4S
Molecular Weight248.10 g/mol
Exact Mass247.96
IUPAC Name2,2,2-trifluoroethyl trifluoromethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C3H2F6O4S/c4-2(5,6)1-12-14(10,11)13-3(7,8)9/h1H2
InChIKeyABGVORVZEBCOPF-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl trifluoromethyl sulfate?
The IUPAC name of 2,2,2-trifluoroethyl trifluoromethyl sulfate (CID 21270370) is 2,2,2-trifluoroethyl trifluoromethyl sulfate.
What is the SMILES notation for 2,2,2-trifluoroethyl trifluoromethyl sulfate?
The canonical SMILES for 2,2,2-trifluoroethyl trifluoromethyl sulfate is O=S(=O)(OCC(F)(F)F)OC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl trifluoromethyl sulfate?
The InChIKey is ABGVORVZEBCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O4S/c4-2(5,6)1-12-14(10,11)13-3(7,8)9/h1H2.
What are the key properties of 2,2,2-trifluoroethyl trifluoromethyl sulfate?
2,2,2-trifluoroethyl trifluoromethyl sulfate has a molecular weight of 248.10 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl trifluoromethyl sulfate is sourced from PubChem (CID 21270370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).