2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate

C5H4F8O4S — CID 87155343

IUPAC2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O4S/c6-3(7,5(11,12)13)1-16-18(14,15)17-2-4(8,9)10/h1-2H2
InChIKeyKCBFYVAMBKPQEA-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.02
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate

2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate (PubChem CID 87155343) has the molecular formula C5H4F8O4S and a molecular weight of 312.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate
PubChem CID87155343
Molecular FormulaC5H4F8O4S
Molecular Weight312.13 g/mol
Exact Mass311.97
IUPAC Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O4S/c6-3(7,5(11,12)13)1-16-18(14,15)17-2-4(8,9)10/h1-2H2
InChIKeyKCBFYVAMBKPQEA-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate (CID 87155343) is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate is O=S(=O)(OCC(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate?
The InChIKey is KCBFYVAMBKPQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O4S/c6-3(7,5(11,12)13)1-16-18(14,15)17-2-4(8,9)10/h1-2H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate?
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate has a molecular weight of 312.13 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfate is sourced from PubChem (CID 87155343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).