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N-(2,4-difluorobenzylidene)-N-[dimethyl(methoxymethyl)methyl]amine

HCID 21255697
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCC(C)(C)N=Cc1ccc(F)cc1F
InChIKey
HQBDRGWRWSMYDF-UHFFFAOYSA-N
Molecular formula
C12H15F2NO
Average molar mass
227.25 g/mol
Monoisotopic mass
227.11217043

Names & identifiers

Preferred name
N-(2,4-difluorobenzylidene)-N-[dimethyl(methoxymethyl)methyl]amine
IUPAC
1-(2,4-difluorophenyl)-N-(1-methoxy-2-methylpropan-2-yl)methanimine

Names & synonyms

SCHEMBL7921082SCHEMBL7921084HQBDRGWRWSMYDF-UHFFFAOYSA-NN-(2,4-difluorobenzylidene)-N-[dimethyl(methoxymethyl)methyl]amine

Database identifiers

PubChem CID
21255697

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
21.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
243

Related reactions

3 records
New reaction record
HRID 636733 reaction equation
HRID 636733As productuspto-grants-2001_02
HRID 636734 reaction equation
HRID 636734As reactantuspto-grants-2001_02
HRID 1575830 reaction equation
HRID 1575830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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