1-diethoxyphosphoryl-1-fluoropropa-1,2-diene

C7H12FO3P — CID 10797877

IUPAC1-diethoxyphosphoryl-1-fluoropropa-1,2-diene
SMILESC=C=C(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H12FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h1,5-6H2,2-3H3
InChIKeyOGALXRHRZXSNDY-UHFFFAOYSA-N
MW194.14 g/mol
LogP2.85
Rot. Bonds5

About 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene

1-diethoxyphosphoryl-1-fluoropropa-1,2-diene (PubChem CID 10797877) has the molecular formula C7H12FO3P and a molecular weight of 194.14 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoropropa-1,2-diene
PubChem CID10797877
Molecular FormulaC7H12FO3P
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Name1-diethoxyphosphoryl-1-fluoropropa-1,2-diene
SMILESC=C=C(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H12FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h1,5-6H2,2-3H3
InChIKeyOGALXRHRZXSNDY-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene (CID 10797877) is 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene is C=C=C(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene?
The InChIKey is OGALXRHRZXSNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h1,5-6H2,2-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene?
1-diethoxyphosphoryl-1-fluoropropa-1,2-diene has a molecular weight of 194.14 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoropropa-1,2-diene is sourced from PubChem (CID 10797877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).