bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate

C8F18O4S — CID 87154608

IUPACbis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate
SMILESO=S(=O)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F18O4S/c9-3(10,11)1(4(12,13)14,5(15,16)17)29-31(27,28)30-2(6(18,19)20,7(21,22)23)8(24,25)26
InChIKeyJAZJANRLEVERNY-UHFFFAOYSA-N
MW534.12 g/mol
LogP5.12
Rot. Bonds4

About bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate

bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate (PubChem CID 87154608) has the molecular formula C8F18O4S and a molecular weight of 534.12 g/mol. Its IUPAC name is bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate.

Molecular Properties

Compound Namebis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate
PubChem CID87154608
Molecular FormulaC8F18O4S
Molecular Weight534.12 g/mol
Exact Mass533.92
IUPAC Namebis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate
SMILESO=S(=O)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F18O4S/c9-3(10,11)1(4(12,13)14,5(15,16)17)29-31(27,28)30-2(6(18,19)20,7(21,22)23)8(24,25)26
InChIKeyJAZJANRLEVERNY-UHFFFAOYSA-N
XLogP5.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.12
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
CID 54257019
bis(trihydroxymethyl) sulfate
CID 88976235
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
CID 138604570
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl methyl sulfate
CID 134426835
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate
CID 15212633
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) hydrogen sulfate
CID 87625622
1,1,2,2,3,3,3-heptafluoropropyl methanesulfonate
CID 87623488
1-chlorosulfonyloxy-1,1,2,2,3,3,3-heptafluoropropane
CID 24972775
2,2,2-trifluoroethyl trifluoromethyl sulfate
CID 21270370
bis(5-chloro-1,1,2,2,3,3,5,5-octafluoropentyl) sulfate
CID 57364022

Frequently Asked Questions

What is the IUPAC name of bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate?
The IUPAC name of bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate (CID 87154608) is bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate.
What is the SMILES notation for bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate?
The canonical SMILES for bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate is O=S(=O)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate?
The InChIKey is JAZJANRLEVERNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F18O4S/c9-3(10,11)1(4(12,13)14,5(15,16)17)29-31(27,28)30-2(6(18,19)20,7(21,22)23)8(24,25)26.
What are the key properties of bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate?
bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate has a molecular weight of 534.12 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate is sourced from PubChem (CID 87154608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).