ethyl 2,2,3,3,3-pentafluoropropyl sulfate

C5H7F5O4S — CID 87154787

IUPACethyl 2,2,3,3,3-pentafluoropropyl sulfate
SMILESCCOS(=O)(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O4S/c1-2-13-15(11,12)14-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKeyADSZRVTZZOTEKZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP1.48
Rot. Bonds5

About ethyl 2,2,3,3,3-pentafluoropropyl sulfate

ethyl 2,2,3,3,3-pentafluoropropyl sulfate (PubChem CID 87154787) has the molecular formula C5H7F5O4S and a molecular weight of 258.16 g/mol. Its IUPAC name is ethyl 2,2,3,3,3-pentafluoropropyl sulfate.

Molecular Properties

Compound Nameethyl 2,2,3,3,3-pentafluoropropyl sulfate
PubChem CID87154787
Molecular FormulaC5H7F5O4S
Molecular Weight258.16 g/mol
Exact Mass258.00
IUPAC Nameethyl 2,2,3,3,3-pentafluoropropyl sulfate
SMILESCCOS(=O)(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O4S/c1-2-13-15(11,12)14-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKeyADSZRVTZZOTEKZ-UHFFFAOYSA-N
XLogP1.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.48
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 ethyl 2,2,3,3,3-pentafluoropropyl sulfate?
The IUPAC name of ethyl 2,2,3,3,3-pentafluoropropyl sulfate (CID 87154787) is ethyl 2,2,3,3,3-pentafluoropropyl sulfate.
What is the SMILES notation for ethyl 2,2,3,3,3-pentafluoropropyl sulfate?
The canonical SMILES for ethyl 2,2,3,3,3-pentafluoropropyl sulfate is CCOS(=O)(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 2,2,3,3,3-pentafluoropropyl sulfate?
The InChIKey is ADSZRVTZZOTEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O4S/c1-2-13-15(11,12)14-3-4(6,7)5(8,9)10/h2-3H2,1H3.
What are the key properties of ethyl 2,2,3,3,3-pentafluoropropyl sulfate?
ethyl 2,2,3,3,3-pentafluoropropyl sulfate has a molecular weight of 258.16 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3,3,3-pentafluoropropyl sulfate is sourced from PubChem (CID 87154787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).