dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride

C10H20FNO2 — CID 87217876

IUPACdimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride
SMILESC=C(C)C(=O)OCCCC[NH+](C)C.[F-]
InChIInChI=1S/C10H19NO2.FH/c1-9(2)10(12)13-8-6-5-7-11(3)4;/h1,5-8H2,2-4H3;1H
InChIKeyQOITUCVOUSHTMZ-UHFFFAOYSA-N
MW205.27 g/mol
LogP-2.97
Rot. Bonds6

About dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride

dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride (PubChem CID 87217876) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride.

Molecular Properties

Compound Namedimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride
PubChem CID87217876
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Namedimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride
SMILESC=C(C)C(=O)OCCCC[NH+](C)C.[F-]
InChIInChI=1S/C10H19NO2.FH/c1-9(2)10(12)13-8-6-5-7-11(3)4;/h1,5-8H2,2-4H3;1H
InChIKeyQOITUCVOUSHTMZ-UHFFFAOYSA-N
XLogP-2.97
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 5-2.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Butylamino)ethyl 2-methylprop-2-enoate
CID 15774820
Dimethylaminobutyl methacrylate
CID 15597304
4-Amino-butyl methacrylate
CID 22149420
N,N,N-trimethyl-N-4-methacryloxybutylammonium chloride
CID 22327705
1-(1-Fluorobutylamino)ethyl 2-methylprop-2-enoate
CID 87764825
4-(2,2,2-Trifluoroethylamino)butyl 2-methylprop-2-enoate
CID 157264734
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 6992614
2,2-Difluoroethyl 2-methylprop-2-enoate;triethylazanium
CID 157292286
Trimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
CID 10081514
Triethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium
CID 10354399
4-(Butoxycarbonylamino)butyl 2-methylprop-2-enoate
CID 13750469
4-(Methoxycarbonylamino)butyl 2-methylprop-2-enoate
CID 15208777

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride?
The IUPAC name of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride (CID 87217876) is dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride.
What is the SMILES notation for dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride?
The canonical SMILES for dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride is C=C(C)C(=O)OCCCC[NH+](C)C.[F-].
What is the InChIKey of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride?
The InChIKey is QOITUCVOUSHTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.FH/c1-9(2)10(12)13-8-6-5-7-11(3)4;/h1,5-8H2,2-4H3;1H.
What are the key properties of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride?
dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride has a molecular weight of 205.27 g/mol, XLogP of -2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium fluoride is sourced from PubChem (CID 87217876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).