4-diethoxyphosphoryl-4-fluorobut-1-ene

C8H16FO3P — CID 10774791

IUPAC4-diethoxyphosphoryl-4-fluorobut-1-ene
SMILESC=CCC(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyWZBBAIHSWNXWPO-UHFFFAOYSA-N
MW210.18 g/mol
LogP3.12
Rot. Bonds7

About 4-diethoxyphosphoryl-4-fluorobut-1-ene

4-diethoxyphosphoryl-4-fluorobut-1-ene (PubChem CID 10774791) has the molecular formula C8H16FO3P and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-4-fluorobut-1-ene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-4-fluorobut-1-ene
PubChem CID10774791
Molecular FormulaC8H16FO3P
Molecular Weight210.18 g/mol
Exact Mass210.08
IUPAC Name4-diethoxyphosphoryl-4-fluorobut-1-ene
SMILESC=CCC(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyWZBBAIHSWNXWPO-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 53.12
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 4-diethoxyphosphoryl-4-fluorobut-1-ene?
The IUPAC name of 4-diethoxyphosphoryl-4-fluorobut-1-ene (CID 10774791) is 4-diethoxyphosphoryl-4-fluorobut-1-ene.
What is the SMILES notation for 4-diethoxyphosphoryl-4-fluorobut-1-ene?
The canonical SMILES for 4-diethoxyphosphoryl-4-fluorobut-1-ene is C=CCC(F)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-4-fluorobut-1-ene?
The InChIKey is WZBBAIHSWNXWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-diethoxyphosphoryl-4-fluorobut-1-ene?
4-diethoxyphosphoryl-4-fluorobut-1-ene has a molecular weight of 210.18 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-4-fluorobut-1-ene is sourced from PubChem (CID 10774791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).