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3-fluoro-N-allylcinnamamide

HCID 54515971
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Basic information

Standard SMILES
C=CCNC(=O)C=Cc1cccc(F)c1
InChIKey
YMLIMMJJEWFXHD-UHFFFAOYSA-N
Molecular formula
C12H12FNO
Average molar mass
205.23 g/mol

Names & identifiers

Preferred name
3-fluoro-N-allylcinnamamide
IUPAC
3-(3-fluorophenyl)-N-prop-2-enylprop-2-enamide

Names & synonyms

3-fluoro-N-allylcinnamamideSCHEMBL11519025YMLIMMJJEWFXHD-UHFFFAOYSA-NAKOS017262695

Database identifiers

PubChem CID
54515971

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
250

Related reactions

2 records
New reaction record
HRID 93380 reaction equation
HRID 93380As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1448112 reaction equation
HRID 1448112As productuspto-grants-1979_12

Compound notes

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