diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride

C10H20FNO3 — CID 87218021

IUPACdiethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride
SMILESC=CC(=O)OCC(O)C[NH+](CC)CC.[F-]
InChIInChI=1S/C10H19NO3.FH/c1-4-10(13)14-8-9(12)7-11(5-2)6-3;/h4,9,12H,1,5-8H2,2-3H3;1H
InChIKeyFLXQIMXTSAKQNI-UHFFFAOYSA-N
MW221.27 g/mol
LogP-3.99
Rot. Bonds7

About diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride

diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride (PubChem CID 87218021) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride.

Molecular Properties

Compound Namediethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride
PubChem CID87218021
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Namediethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride
SMILESC=CC(=O)OCC(O)C[NH+](CC)CC.[F-]
InChIInChI=1S/C10H19NO3.FH/c1-4-10(13)14-8-9(12)7-11(5-2)6-3;/h4,9,12H,1,5-8H2,2-3H3;1H
InChIKeyFLXQIMXTSAKQNI-UHFFFAOYSA-N
XLogP-3.99
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-3.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride?
The IUPAC name of diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride (CID 87218021) is diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride.
What is the SMILES notation for diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride?
The canonical SMILES for diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride is C=CC(=O)OCC(O)C[NH+](CC)CC.[F-].
What is the InChIKey of diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride?
The InChIKey is FLXQIMXTSAKQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.FH/c1-4-10(13)14-8-9(12)7-11(5-2)6-3;/h4,9,12H,1,5-8H2,2-3H3;1H.
What are the key properties of diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride?
diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride has a molecular weight of 221.27 g/mol, XLogP of -3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-hydroxy-3-prop-2-enoyloxypropyl)azanium fluoride is sourced from PubChem (CID 87218021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).