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Ethyl 3,3-bis(3-fluorophenyl)acrylate

HCID 22015772
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C=C(c1cccc(F)c1)c1cccc(F)c1
InChIKey
JWNTYVVENZPPMX-UHFFFAOYSA-N
Molecular formula
C17H14F2O2
Average molar mass
288.29 g/mol

Names & identifiers

Preferred name
Ethyl 3,3-bis(3-fluorophenyl)acrylate
IUPAC
ethyl 3,3-bis(3-fluorophenyl)prop-2-enoate

Names & synonyms

SCHEMBL5153530JWNTYVVENZPPMX-UHFFFAOYSA-Nethyl 3,3-bis(3-fluorophenyl)acrylate

Database identifiers

PubChem CID
22015772
Nikkaji
J3.214.128E

Properties

Computed structural propertiesFilling in

XLogP
4.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
357

Related reactions

3 records
New reaction record
HRID 685941 reaction equation
HRID 685941As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1167248 reaction equation
HRID 1167248As reactantuspto-grants-2003_09
HRID 2348448 reaction equation
HRID 2348448As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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