1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene

C8H14FO3P — CID 130422653

IUPAC1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene
SMILESCC=CCOP(=O)(F)OCC=CC
InChIInChI=1S/C8H14FO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-6H,7-8H2,1-2H3
InChIKeyFFABAOFAKRWIJX-UHFFFAOYSA-N
MW208.17 g/mol
LogP3.25
Rot. Bonds6

About 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene

1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene (PubChem CID 130422653) has the molecular formula C8H14FO3P and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene.

Molecular Properties

Compound Name1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene
PubChem CID130422653
Molecular FormulaC8H14FO3P
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Name1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene
SMILESCC=CCOP(=O)(F)OCC=CC
InChIInChI=1S/C8H14FO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-6H,7-8H2,1-2H3
InChIKeyFFABAOFAKRWIJX-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 53.25
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 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene?
The IUPAC name of 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene (CID 130422653) is 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene.
What is the SMILES notation for 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene?
The canonical SMILES for 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene is CC=CCOP(=O)(F)OCC=CC.
What is the InChIKey of 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene?
The InChIKey is FFABAOFAKRWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene?
1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene has a molecular weight of 208.17 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[but-2-enoxy(fluoro)phosphoryl]oxybut-2-ene is sourced from PubChem (CID 130422653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).