trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride

C9H18FNO2 — CID 87225118

IUPACtrimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
SMILESC=CC(=O)OC(CC)[N+](C)(C)C.[F-]
InChIInChI=1S/C9H18NO2.FH/c1-6-8(10(3,4)5)12-9(11)7-2;/h7-8H,2,6H2,1,3-5H3;1H/q+1;/p-1
InChIKeyKCODIKRWCNBWIY-UHFFFAOYSA-M
MW191.25 g/mol
LogP-1.84
Rot. Bonds4

About trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride

trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride (PubChem CID 87225118) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride.

Molecular Properties

Compound Nametrimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
PubChem CID87225118
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nametrimethyl(1-prop-2-enoyloxypropyl)azanium fluoride
SMILESC=CC(=O)OC(CC)[N+](C)(C)C.[F-]
InChIInChI=1S/C9H18NO2.FH/c1-6-8(10(3,4)5)12-9(11)7-2;/h7-8H,2,6H2,1,3-5H3;1H/q+1;/p-1
InChIKeyKCODIKRWCNBWIY-UHFFFAOYSA-M
XLogP-1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(1-prop-2-enoyloxybutyl)azanium iodide
CID 87225159
CID 172734708
CID 172734708
benzyl-dimethyl-(1-prop-2-enoyloxypropyl)azanium
CID 174601755
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
benzyl-methyl-(1-prop-2-enoyloxypropyl)-prop-2-enylazanium
CID 174548375
1-aminopropyl prop-2-enoate;butane
CID 87190109
tert-butyl-ethyl-methyl-(1-prop-2-enoyloxyethyl)azanium
CID 175422863
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262
CID 177132586
CID 177132586
ethyl-methyl-propan-2-yl-(2-prop-2-enoyloxypropyl)azanium bromide
CID 141243009

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride?
The IUPAC name of trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride (CID 87225118) is trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride.
What is the SMILES notation for trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride?
The canonical SMILES for trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride is C=CC(=O)OC(CC)[N+](C)(C)C.[F-].
What is the InChIKey of trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride?
The InChIKey is KCODIKRWCNBWIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.FH/c1-6-8(10(3,4)5)12-9(11)7-2;/h7-8H,2,6H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride?
trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride has a molecular weight of 191.25 g/mol, XLogP of -1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-prop-2-enoyloxypropyl)azanium fluoride is sourced from PubChem (CID 87225118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).