(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene

C9H17F2O3P — CID 14268060

IUPAC(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
SMILESC/C=C/CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H17F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKeyYAHGJBMJCCAIDV-QPJJXVBHSA-N
MW242.20 g/mol
LogP3.81
Rot. Bonds7

About (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene

(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene (PubChem CID 14268060) has the molecular formula C9H17F2O3P and a molecular weight of 242.20 g/mol. Its IUPAC name is (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene.

Molecular Properties

Compound Name(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
PubChem CID14268060
Molecular FormulaC9H17F2O3P
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
SMILESC/C=C/CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H17F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKeyYAHGJBMJCCAIDV-QPJJXVBHSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene?
The IUPAC name of (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene (CID 14268060) is (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene.
What is the SMILES notation for (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene?
The canonical SMILES for (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene is C/C=C/CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene?
The InChIKey is YAHGJBMJCCAIDV-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H17F2O3P/c1-4-7-8-9(10,11)15(12,13-5-2)14-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+.
What are the key properties of (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene?
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene has a molecular weight of 242.20 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene is sourced from PubChem (CID 14268060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).