1-[4-(Trifluoromethyl)phenyl]ethanone oxime

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Basic information

CAS: 15996-83-5
Standard SMILES: CC(=NO)c1ccc(C(F)(F)F)cc1
InChIKey: KKWYDFPUEGTJRD-UHFFFAOYSA-N
Molecular formula: C9H8F3NO
Average molar mass: 203.16 g/mol
Monoisotopic mass: 203.05579836

Names & identifiers

Preferred name: 1-[4-(Trifluoromethyl)phenyl]ethanone oxime
IUPAC: N-[1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

Names & synonyms

1-[4-(trifluoromethyl)phenyl]ethanone oxime15996-83-5SCHEMBL266456N-{1-[4-(TRIFLUOROMETHYL)PHENYL]ETHYLIDENE}HYDROXYLAMINEETHANONE,1-[4-(TRIFLUOROMETHYL)PHENYL]-, OXIMEH82296

Database identifiers

CAS: 15996-83-5
PubChem CID: 280833

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Related reactions

3 records

New reaction record

HRID 585971As productuspto-grants-2005_08

HRID 887240As productuspto-grants-2012_08

HRID 2056858As productuspto-grants-2008_02

Compound notes

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