dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride

C7H14FNO2 — CID 87218145

IUPACdimethyl(2-prop-2-enoyloxyethyl)azanium fluoride
SMILESC=CC(=O)OCC[NH+](C)C.[F-]
InChIInChI=1S/C7H13NO2.FH/c1-4-7(9)10-6-5-8(2)3;/h4H,1,5-6H2,2-3H3;1H
InChIKeyBEWHQGWKHUXFOV-UHFFFAOYSA-N
MW163.19 g/mol
LogP-4.14
Rot. Bonds4

About dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride

dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride (PubChem CID 87218145) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride.

Molecular Properties

Compound Namedimethyl(2-prop-2-enoyloxyethyl)azanium fluoride
PubChem CID87218145
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Namedimethyl(2-prop-2-enoyloxyethyl)azanium fluoride
SMILESC=CC(=O)OCC[NH+](C)C.[F-]
InChIInChI=1S/C7H13NO2.FH/c1-4-7(9)10-6-5-8(2)3;/h4H,1,5-6H2,2-3H3;1H
InChIKeyBEWHQGWKHUXFOV-UHFFFAOYSA-N
XLogP-4.14
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-4.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 142684886
ethyl prop-2-enoate;hexadecyl(dimethyl)azanium;bromide
CID 86630324
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
tris(methyl(2-prop-2-enoyloxyethyl)azanium);trichloride
CID 140990808
carbamic acid;propyl prop-2-enoate
CID 87571569
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride?
The IUPAC name of dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride (CID 87218145) is dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride.
What is the SMILES notation for dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride?
The canonical SMILES for dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride is C=CC(=O)OCC[NH+](C)C.[F-].
What is the InChIKey of dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride?
The InChIKey is BEWHQGWKHUXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.FH/c1-4-7(9)10-6-5-8(2)3;/h4H,1,5-6H2,2-3H3;1H.
What are the key properties of dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride?
dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride has a molecular weight of 163.19 g/mol, XLogP of -4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride is sourced from PubChem (CID 87218145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).