(2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone

C15H10F3NO2 — CID 134833344

IUPAC(2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(/C(=N/O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)12-8-4-7-11(9-12)14(20)13(19-21)10-5-2-1-3-6-10/h1-9,21H/b19-13+
InChIKeyKJECHYYKJXQCOG-CPNJWEJPSA-N
MW293.24 g/mol
LogP3.77
Rot. Bonds3

About (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone

(2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 134833344) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID134833344
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name(2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(/C(=N/O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)12-8-4-7-11(9-12)14(20)13(19-21)10-5-2-1-3-6-10/h1-9,21H/b19-13+
InChIKeyKJECHYYKJXQCOG-CPNJWEJPSA-N
XLogP3.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone (CID 134833344) is (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(/C(=N/O)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KJECHYYKJXQCOG-CPNJWEJPSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)12-8-4-7-11(9-12)14(20)13(19-21)10-5-2-1-3-6-10/h1-9,21H/b19-13+.
What are the key properties of (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone?
(2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 293.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 134833344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).