Methyl 3-fluorocinnamate

HCID 53395455

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C=Cc1cccc(F)c1
InChIKey: FLDMXKIURVHYKV-UHFFFAOYSA-N
Molecular formula: C10H9FO2
Average molar mass: 180.17 g/mol

Names & identifiers

Preferred name: Methyl 3-fluorocinnamate
IUPAC: methyl 3-(3-fluorophenyl)prop-2-enoate

Names & synonyms

Methyl 3-fluorocinnamateMethyl 3-(3-fluorophenyl)acrylatemethyl 3-(3-fluorophenyl)prop-2-enoateSCHEMBL1431915SCHEMBL31318867FLDMXKIURVHYKV-UHFFFAOYSA-N3-(3-Fluoro-phenyl)-acrylic acid methyl ester

Database identifiers

PubChem CID: 53395455

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 201

Related reactions

3 records

New reaction record

HRID 136271As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1208287As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1525575As reactantuspto-grants-2015_07

Compound notes

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