4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene

C8H10F7O3P — CID 166760656

IUPAC4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H10F7O3P/c1-3-17-19(16,18-4-2)8(14,15)7(12,13)5(9)6(10)11/h3-4H2,1-2H3
InChIKeyZNQIALAICIJJJN-UHFFFAOYSA-N
MW318.13 g/mol
LogP4.56
Rot. Bonds7

About 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene

4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene (PubChem CID 166760656) has the molecular formula C8H10F7O3P and a molecular weight of 318.13 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene
PubChem CID166760656
Molecular FormulaC8H10F7O3P
Molecular Weight318.13 g/mol
Exact Mass318.03
IUPAC Name4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H10F7O3P/c1-3-17-19(16,18-4-2)8(14,15)7(12,13)5(9)6(10)11/h3-4H2,1-2H3
InChIKeyZNQIALAICIJJJN-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The IUPAC name of 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene (CID 166760656) is 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The canonical SMILES for 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene is CCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene?
The InChIKey is ZNQIALAICIJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7O3P/c1-3-17-19(16,18-4-2)8(14,15)7(12,13)5(9)6(10)11/h3-4H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene?
4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene has a molecular weight of 318.13 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-1,1,2,3,3,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 166760656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).