(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene

C8H11F6O3P — CID 13196904

IUPAC(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
SMILESCCOP(=O)(/C=C(\F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C8H11F6O3P/c1-3-16-18(15,17-4-2)5-6(9)7(10,11)8(12,13)14/h5H,3-4H2,1-2H3/b6-5-
InChIKeyXBPLYRXYVOEMCT-WAYWQWQTSA-N
MW300.14 g/mol
LogP4.26
Rot. Bonds6

About (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene

(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene (PubChem CID 13196904) has the molecular formula C8H11F6O3P and a molecular weight of 300.14 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
PubChem CID13196904
Molecular FormulaC8H11F6O3P
Molecular Weight300.14 g/mol
Exact Mass300.04
IUPAC Name(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
SMILESCCOP(=O)(/C=C(\F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C8H11F6O3P/c1-3-16-18(15,17-4-2)5-6(9)7(10,11)8(12,13)14/h5H,3-4H2,1-2H3/b6-5-
InChIKeyXBPLYRXYVOEMCT-WAYWQWQTSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 54.26
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 (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene (CID 13196904) is (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene is CCOP(=O)(/C=C(\F)C(F)(F)C(F)(F)F)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene?
The InChIKey is XBPLYRXYVOEMCT-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11F6O3P/c1-3-16-18(15,17-4-2)5-6(9)7(10,11)8(12,13)14/h5H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene?
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene has a molecular weight of 300.14 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene is sourced from PubChem (CID 13196904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).