N-[2-Formyl-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

HCID 21883657

Notes Reactions

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Basic information

CAS: 106746-81-0
Standard SMILES: CC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1C=O
InChIKey: ACBUKTMFSKGPNK-UHFFFAOYSA-N
Molecular formula: C13H14F3NO2
Average molar mass: 273.25 g/mol
Monoisotopic mass: 273.09766335

Names & identifiers

Preferred name: N-[2-Formyl-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
IUPAC: N-[2-formyl-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

Names & synonyms

N-[2-Formyl-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide106746-81-0SCHEMBL6094043DTXSID30619386N-(2-formyl-4-trifluoromethylphenyl)-2,2-dimethylpropanamide

Database identifiers

CAS: 106746-81-0
PubChem CID: 21883657
DTXSID: DTXSID30619386

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 347

Related reactions

15 records

New reaction record

HRID 101476As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 393331As productuspto-grants-2004_10

HRID 393332As reactantuspto-grants-2004_10

HRID 650167As productuspto-grants-2001_08

HRID 650168As reactantuspto-grants-2001_08

HRID 722346As productuspto-grants-2006_11

HRID 722347As reactantuspto-grants-2006_11

HRID 1421587As productuspto-grants-2000_06

Compound notes

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