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1-(2-trifluoromethyl-phenyl)-ethanone O-methyl-oxime

HCID 54513608
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CON=C(C)c1ccccc1C(F)(F)F
InChIKey
YKVVGPNOPFVZHB-UHFFFAOYSA-N
Molecular formula
C10H10F3NO
Average molar mass
217.19 g/mol

Names & identifiers

Preferred name
1-(2-trifluoromethyl-phenyl)-ethanone O-methyl-oxime
IUPAC
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine

Names & synonyms

1-(2-trifluoromethyl-phenyl)-ethanone O-methyl-oximeSCHEMBL6811934SCHEMBL29778314

Database identifiers

PubChem CID
54513608

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
21.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
237

Related reactions

15 records
New reaction record
HRID 195964 reaction equation
HRID 195964As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 649877 reaction equation
HRID 649877As reactantuspto-grants-2001_08
HRID 990873 reaction equation
HRID 990873As reactantuspto-grants-2002_10
HRID 1249888 reaction equation
HRID 1249888As reactantuspto-grants-2002_01
HRID 1268046 reaction equation
HRID 1268046As reactantuspto-grants-2003_04
HRID 1276269 reaction equation
HRID 1276269As reactantuspto-grants-2000_12
HRID 1383679 reaction equation
HRID 1383679As reactantuspto-grants-2001_07
HRID 1385266 reaction equation
HRID 1385266As reactantuspto-grants-2001_07
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Compound notes

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