1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate

C3F7O4S- — CID 151653513

IUPAC1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate
SMILESO=S(=O)([O-])OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O4S/c4-1(2(5,6)7,3(8,9)10)14-15(11,12)13/h(H,11,12,13)/p-1
InChIKeyQUZUXMCGAUDBKB-UHFFFAOYSA-M
MW265.08 g/mol
LogP1.25
Rot. Bonds2

About 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate

1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate (PubChem CID 151653513) has the molecular formula C3F7O4S- and a molecular weight of 265.08 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate
PubChem CID151653513
Molecular FormulaC3F7O4S-
Molecular Weight265.08 g/mol
Exact Mass264.94
IUPAC Name1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate
SMILESO=S(=O)([O-])OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O4S/c4-1(2(5,6)7,3(8,9)10)14-15(11,12)13/h(H,11,12,13)/p-1
InChIKeyQUZUXMCGAUDBKB-UHFFFAOYSA-M
XLogP1.25
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Perfluoropropylene sulfate
CID 129804313
1,2-Bis(fluoro-sulfonyloxy)hexafluoropropane
CID 12808587
2,2-Bis(fluorosulfonyloxy)perfluoropropane
CID 15402258
Pentafluoroethyl fluosulfate
CID 129811018
n-Heptafluoropropyl fluosulfate
CID 129812855
Bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate
CID 87155540
1,1,1,2,3,3,3-Heptafluoropropan-2-yl hydrogen sulfate
CID 151653514
4,4-Bis(trifluoromethyl)-1,3,2-dioxathietane 2,2-dioxide
CID 170948613
1,1,1,3,3,3-Hexafluoropropan-2-one;sulfur trioxide
CID 174432206
Fluoro 1,1,1,2,3-pentafluoropropan-2-yl sulfate
CID 175041757
1,1,2,2,2-Pentafluoroethyl sulfate
CID 22673151
2-Chlorosulfonyloxy-1,1,1,2,3,3,3-heptafluoropropane
CID 24977571

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate (CID 151653513) is 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate is O=S(=O)([O-])OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate?
The InChIKey is QUZUXMCGAUDBKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF7O4S/c4-1(2(5,6)7,3(8,9)10)14-15(11,12)13/h(H,11,12,13)/p-1.
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate?
1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate has a molecular weight of 265.08 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropan-2-yl sulfate is sourced from PubChem (CID 151653513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).