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'}

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Related Compounds

(2-hydroxy-3-prop-2-enoyloxypropyl)-dimethylazanium iodide
CID 87218104
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
CID 173034906
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174950031
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-dimethylmethanamine
CID 87225254
(3-chloro-2-hydroxypropyl) prop-2-enoate;N,N-diethylethanamine
CID 87225352
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557

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).