3-diethoxyphosphoryl-3-fluoroprop-1-ene

C7H14FO3P — CID 15449243

IUPAC3-diethoxyphosphoryl-3-fluoroprop-1-ene
SMILESC=CC(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H14FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4,7H,1,5-6H2,2-3H3
InChIKeyAXBGSHQMZPCTIZ-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.73
Rot. Bonds6

About 3-diethoxyphosphoryl-3-fluoroprop-1-ene

3-diethoxyphosphoryl-3-fluoroprop-1-ene (PubChem CID 15449243) has the molecular formula C7H14FO3P and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-3-fluoroprop-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-3-fluoroprop-1-ene
PubChem CID15449243
Molecular FormulaC7H14FO3P
Molecular Weight196.16 g/mol
Exact Mass196.07
IUPAC Name3-diethoxyphosphoryl-3-fluoroprop-1-ene
SMILESC=CC(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H14FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4,7H,1,5-6H2,2-3H3
InChIKeyAXBGSHQMZPCTIZ-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.73
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 3-diethoxyphosphoryl-3-fluoroprop-1-ene?
The IUPAC name of 3-diethoxyphosphoryl-3-fluoroprop-1-ene (CID 15449243) is 3-diethoxyphosphoryl-3-fluoroprop-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryl-3-fluoroprop-1-ene?
The canonical SMILES for 3-diethoxyphosphoryl-3-fluoroprop-1-ene is C=CC(F)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-3-fluoroprop-1-ene?
The InChIKey is AXBGSHQMZPCTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 3-diethoxyphosphoryl-3-fluoroprop-1-ene?
3-diethoxyphosphoryl-3-fluoroprop-1-ene has a molecular weight of 196.16 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-3-fluoroprop-1-ene is sourced from PubChem (CID 15449243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).