2,2,3,3,3-pentafluoropropyl hydrogen sulfate

C3H3F5O4S — CID 118676400

IUPAC2,2,3,3,3-pentafluoropropyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O4S/c4-2(5,3(6,7)8)1-12-13(9,10)11/h1H2,(H,9,10,11)
InChIKeyQQIVDSYEFVPICD-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.00
Rot. Bonds3

About 2,2,3,3,3-pentafluoropropyl hydrogen sulfate

2,2,3,3,3-pentafluoropropyl hydrogen sulfate (PubChem CID 118676400) has the molecular formula C3H3F5O4S and a molecular weight of 230.11 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl hydrogen sulfate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl hydrogen sulfate
PubChem CID118676400
Molecular FormulaC3H3F5O4S
Molecular Weight230.11 g/mol
Exact Mass229.97
IUPAC Name2,2,3,3,3-pentafluoropropyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O4S/c4-2(5,3(6,7)8)1-12-13(9,10)11/h1H2,(H,9,10,11)
InChIKeyQQIVDSYEFVPICD-UHFFFAOYSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl hydrogen sulfate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl hydrogen sulfate (CID 118676400) is 2,2,3,3,3-pentafluoropropyl hydrogen sulfate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl hydrogen sulfate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl hydrogen sulfate is O=S(=O)(O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl hydrogen sulfate?
The InChIKey is QQIVDSYEFVPICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O4S/c4-2(5,3(6,7)8)1-12-13(9,10)11/h1H2,(H,9,10,11).
What are the key properties of 2,2,3,3,3-pentafluoropropyl hydrogen sulfate?
2,2,3,3,3-pentafluoropropyl hydrogen sulfate has a molecular weight of 230.11 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl hydrogen sulfate is sourced from PubChem (CID 118676400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).