[3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium

C7H14FN2+ — CID 156757937

IUPAC[3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(F)C=[N+](C)C
InChIInChI=1S/C7H14FN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1
InChIKeyNGPBFYIZWCPILN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.70
Rot. Bonds2

About [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium

[3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium (PubChem CID 156757937) has the molecular formula C7H14FN2+ and a molecular weight of 145.20 g/mol. Its IUPAC name is [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
PubChem CID156757937
Molecular FormulaC7H14FN2+
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(F)C=[N+](C)C
InChIInChI=1S/C7H14FN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1
InChIKeyNGPBFYIZWCPILN-UHFFFAOYSA-N
XLogP0.70
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium
CID 10590808
[2-Chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 54540575
(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine
CID 162558665
(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 166751069
5-fluoro-1-methyl-2H-pyrimidine
CID 175845996
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide
CID 11782397
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium
CID 11782398
[(Z)-3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
CID 72212370
[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium
CID 134895746
(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine
CID 142441986
3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine
CID 174993249
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
CID 177404456

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
The IUPAC name of [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium (CID 156757937) is [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium is CN(C)C=C(F)C=[N+](C)C.
What is the InChIKey of [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
The InChIKey is NGPBFYIZWCPILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1.
What are the key properties of [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
[3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium has a molecular weight of 145.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 156757937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).