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

C3HF7O4S — CID 151653514

IUPAC1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen 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)
InChIKeyQUZUXMCGAUDBKB-UHFFFAOYSA-N
MW266.09 g/mol
LogP1.60
Rot. Bonds2

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

1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate (PubChem CID 151653514) has the molecular formula C3HF7O4S and a molecular weight of 266.09 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate
PubChem CID151653514
Molecular FormulaC3HF7O4S
Molecular Weight266.09 g/mol
Exact Mass265.95
IUPAC Name1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen 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)
InChIKeyQUZUXMCGAUDBKB-UHFFFAOYSA-N
XLogP1.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propyl] hydrogen sulfate
CID 162345126
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfate
CID 14163497
Pentafluoroethyl hydrogen sulfate
CID 22673152
Perfluoropropyl hydrogen sulfate
CID 87623535
1,1,3,3,3-Pentafluoropropyl hydrogen sulfate
CID 87624899
[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl] hydrogen sulfate
CID 126689185
1,1,2,2,3,3,3-Heptafluoropropoxy hydrogen sulfate
CID 172831255
1,1,1,2,3,3,3-Heptafluoropropan-2-yl sulfate
CID 151653513
1,1,2,2,2-Pentafluoroethyl sulfo sulfate
CID 152145352
Sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate (CID 151653514) is 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen 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 hydrogen sulfate?
The InChIKey is QUZUXMCGAUDBKB-UHFFFAOYSA-N. 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).
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate?
1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate has a molecular weight of 266.09 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropan-2-yl hydrogen sulfate is sourced from PubChem (CID 151653514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).