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3-(4-Fluoro-2-trifluoromethyl-phenyl)-acrylamide

HCID 69487015
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
NC(=O)C=Cc1ccc(F)cc1C(F)(F)F
InChIKey
USPYLJBTSXPDJB-UHFFFAOYSA-N
Molecular formula
C10H7F4NO
Average molar mass
233.16 g/mol

Names & identifiers

Preferred name
3-(4-Fluoro-2-trifluoromethyl-phenyl)-acrylamide
IUPAC
3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enamide

Names & synonyms

3-(4-fluoro-2-trifluoromethyl-phenyl)-acrylamideSCHEMBL5558138

Database identifiers

PubChem CID
69487015

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
287

Related reactions

3 records
New reaction record
HRID 1271428 reaction equation
HRID 1271428As productuspto-grants-2007_04
HRID 1271429 reaction equation
HRID 1271429As reactantuspto-grants-2007_04
HRID 1542736 reaction equation
HRID 1542736As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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