ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium

C6H11FO3P+ — CID 130464055

IUPACethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
SMILESCCO[P+](=O)CC(F)C(C)=O
InChIInChI=1S/C6H11FO3P/c1-3-10-11(9)4-6(7)5(2)8/h6H,3-4H2,1-2H3/q+1
InChIKeyHCCKUURQEHYSHO-UHFFFAOYSA-N
MW181.12 g/mol
LogP1.69
Rot. Bonds5

About ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium

ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium (PubChem CID 130464055) has the molecular formula C6H11FO3P+ and a molecular weight of 181.12 g/mol. Its IUPAC name is ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium.

Molecular Properties

Compound Nameethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
PubChem CID130464055
Molecular FormulaC6H11FO3P+
Molecular Weight181.12 g/mol
Exact Mass181.04
IUPAC Nameethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium
SMILESCCO[P+](=O)CC(F)C(C)=O
InChIInChI=1S/C6H11FO3P/c1-3-10-11(9)4-6(7)5(2)8/h6H,3-4H2,1-2H3/q+1
InChIKeyHCCKUURQEHYSHO-UHFFFAOYSA-N
XLogP1.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-oxo-(2-oxopropyl)phosphanium
CID 90454879
ethoxy-oxo-(3-oxobutan-2-yl)phosphanium
CID 130464025
acetyl-ethoxy-oxophosphanium
CID 87455010
3,3-difluoropropoxycarbonyl-ethoxy-oxophosphanium
CID 130463737
ethoxy-octyl-oxophosphanium
CID 14512429
CID 158506606
CID 158506606
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
(1-acetyloxy-2,2,3,3,3-pentafluoropropyl)-ethoxy-oxophosphanium
CID 130464338
[bromo(difluoro)methyl]-ethoxy-oxophosphanium
CID 176768502

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium?
The IUPAC name of ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium (CID 130464055) is ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium.
What is the SMILES notation for ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium?
The canonical SMILES for ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium is CCO[P+](=O)CC(F)C(C)=O.
What is the InChIKey of ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium?
The InChIKey is HCCKUURQEHYSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3P/c1-3-10-11(9)4-6(7)5(2)8/h6H,3-4H2,1-2H3/q+1.
What are the key properties of ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium?
ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium has a molecular weight of 181.12 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-fluoro-3-oxobutyl)-oxophosphanium is sourced from PubChem (CID 130464055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).