fluorooxy-oxo-prop-2-enoxyphosphanium

C3H5FO3P+ — CID 87170414

IUPACfluorooxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)OF
InChIInChI=1S/C3H5FO3P/c1-2-3-6-8(5)7-4/h2H,1,3H2/q+1
InChIKeyUXIBJAQVDBWXFI-UHFFFAOYSA-N
MW139.04 g/mol
LogP1.75
Rot. Bonds4

About fluorooxy-oxo-prop-2-enoxyphosphanium

fluorooxy-oxo-prop-2-enoxyphosphanium (PubChem CID 87170414) has the molecular formula C3H5FO3P+ and a molecular weight of 139.04 g/mol. Its IUPAC name is fluorooxy-oxo-prop-2-enoxyphosphanium.

Molecular Properties

Compound Namefluorooxy-oxo-prop-2-enoxyphosphanium
PubChem CID87170414
Molecular FormulaC3H5FO3P+
Molecular Weight139.04 g/mol
Exact Mass139.00
IUPAC Namefluorooxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)OF
InChIInChI=1S/C3H5FO3P/c1-2-3-6-8(5)7-4/h2H,1,3H2/q+1
InChIKeyUXIBJAQVDBWXFI-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.04
LogP ≤ 51.75
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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Related Compounds

Allyl dihydrogen phosphate
CID 14227548
Diallyl chlorophosphate
CID 4187658
Diallyl hydrogen phosphite
CID 6327420
Hydroxy-oxo-prop-2-enoxyphosphanium
CID 9877360
1,3,2-Dioxaphosphorine oxide
CID 19889413
Prop-2-enyl hydrogen phosphate
CID 57895897
2-Oxo-2,5-dihydro-1,2-oxaphosphol-2-ium
CID 71372903
3-Dichlorophosphoryloxyprop-1-ene
CID 85931501
Calcium-mono-allylphosphorsaureester
CID 87200965
3-[Fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
CID 24828772
3-Difluorophosphoryloxyprop-1-ene
CID 86019932
Fluoro prop-2-enyl hydrogen phosphate
CID 87064978

Frequently Asked Questions

What is the IUPAC name of fluorooxy-oxo-prop-2-enoxyphosphanium?
The IUPAC name of fluorooxy-oxo-prop-2-enoxyphosphanium (CID 87170414) is fluorooxy-oxo-prop-2-enoxyphosphanium.
What is the SMILES notation for fluorooxy-oxo-prop-2-enoxyphosphanium?
The canonical SMILES for fluorooxy-oxo-prop-2-enoxyphosphanium is C=CCO[P+](=O)OF.
What is the InChIKey of fluorooxy-oxo-prop-2-enoxyphosphanium?
The InChIKey is UXIBJAQVDBWXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3P/c1-2-3-6-8(5)7-4/h2H,1,3H2/q+1.
What are the key properties of fluorooxy-oxo-prop-2-enoxyphosphanium?
fluorooxy-oxo-prop-2-enoxyphosphanium has a molecular weight of 139.04 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy-oxo-prop-2-enoxyphosphanium is sourced from PubChem (CID 87170414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).