(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone

C10H5F6NO2 — CID 134113339

IUPAC(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone
SMILESO=C(/C=N/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H5F6NO2/c11-9(12,13)6-1-5(8(18)4-17-19)2-7(3-6)10(14,15)16/h1-4,19H/b17-4+
InChIKeyOUEIUUWXVPJXKT-HAVNEIBRSA-N
MW285.14 g/mol
LogP3.37
Rot. Bonds2

About (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone

(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone (PubChem CID 134113339) has the molecular formula C10H5F6NO2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone
PubChem CID134113339
Molecular FormulaC10H5F6NO2
Molecular Weight285.14 g/mol
Exact Mass285.02
IUPAC Name(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone
SMILESO=C(/C=N/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H5F6NO2/c11-9(12,13)6-1-5(8(18)4-17-19)2-7(3-6)10(14,15)16/h1-4,19H/b17-4+
InChIKeyOUEIUUWXVPJXKT-HAVNEIBRSA-N
XLogP3.37
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
copper bis(3,5-bis(trifluoromethyl)benzoate)
CID 102509886
sodium 3,5-bis(trifluoromethyl)benzoate
CID 23682278
3,5-bis(trifluoromethyl)benzoyl isothiocyanate
CID 16776495
1-[3,5-bis(trifluoromethyl)phenyl]-2-iodoethanone
CID 22138000
bis[3,5-bis(trifluoromethyl)phenyl]methylidenezirconium(2+)
CID 87101400
bis[[3,5-bis(trifluoromethyl)benzoyl]oxy]bismuthanyl 3,5-bis(trifluoromethyl)benzoate
CID 148775969
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]azanium chloride
CID 2736101
1-[3,5-bis(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 173058879
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
(2R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-bromopropan-1-one
CID 90951928

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone?
The IUPAC name of (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone (CID 134113339) is (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone.
What is the SMILES notation for (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone?
The canonical SMILES for (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone is O=C(/C=N/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone?
The InChIKey is OUEIUUWXVPJXKT-HAVNEIBRSA-N. The full InChI is InChI=1S/C10H5F6NO2/c11-9(12,13)6-1-5(8(18)4-17-19)2-7(3-6)10(14,15)16/h1-4,19H/b17-4+.
What are the key properties of (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone?
(2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone has a molecular weight of 285.14 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyiminoethanone is sourced from PubChem (CID 134113339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).