(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene

C9H18FO3P — CID 10775488

IUPAC(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
SMILESC/C=C/CC(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H18FO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKeyNYBDXSMHEBNNBV-QPJJXVBHSA-N
MW224.21 g/mol
LogP3.51
Rot. Bonds7

About (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene

(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene (PubChem CID 10775488) has the molecular formula C9H18FO3P and a molecular weight of 224.21 g/mol. Its IUPAC name is (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene.

Molecular Properties

Compound Name(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
PubChem CID10775488
Molecular FormulaC9H18FO3P
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene
SMILESC/C=C/CC(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H18FO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKeyNYBDXSMHEBNNBV-QPJJXVBHSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.51
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-fluoropent-2-ene?
The IUPAC name of (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene (CID 10775488) is (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene.
What is the SMILES notation for (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene?
The canonical SMILES for (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene is C/C=C/CC(F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene?
The InChIKey is NYBDXSMHEBNNBV-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H18FO3P/c1-4-7-8-9(10)14(11,12-5-2)13-6-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+.
What are the key properties of (E)-5-diethoxyphosphoryl-5-fluoropent-2-ene?
(E)-5-diethoxyphosphoryl-5-fluoropent-2-ene has a molecular weight of 224.21 g/mol, XLogP of 3.51, 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-fluoropent-2-ene is sourced from PubChem (CID 10775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).