1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene

C7H9F5O2S — CID 57286604

IUPAC1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
SMILESCCS(=O)(=O)C=CCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O2S/c1-2-15(13,14)5-3-4-6(8,9)7(10,11)12/h3,5H,2,4H2,1H3
InChIKeyCRHHHLHAJIEIQB-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.52
Rot. Bonds4

About 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene

1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene (PubChem CID 57286604) has the molecular formula C7H9F5O2S and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene.

Molecular Properties

Compound Name1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
PubChem CID57286604
Molecular FormulaC7H9F5O2S
Molecular Weight252.20 g/mol
Exact Mass252.02
IUPAC Name1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
SMILESCCS(=O)(=O)C=CCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F5O2S/c1-2-15(13,14)5-3-4-6(8,9)7(10,11)12/h3,5H,2,4H2,1H3
InChIKeyCRHHHLHAJIEIQB-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene?
The IUPAC name of 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene (CID 57286604) is 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene.
What is the SMILES notation for 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene?
The canonical SMILES for 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene is CCS(=O)(=O)C=CCC(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene?
The InChIKey is CRHHHLHAJIEIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O2S/c1-2-15(13,14)5-3-4-6(8,9)7(10,11)12/h3,5H,2,4H2,1H3.
What are the key properties of 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene?
1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene has a molecular weight of 252.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene is sourced from PubChem (CID 57286604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).