2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone

C10H10F3NO2 — CID 163765835

IUPAC2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(C(F)(F)F)c1C(=O)CNO
InChIInChI=1S/C10H10F3NO2/c1-6-3-2-4-7(10(11,12)13)9(6)8(15)5-14-16/h2-4,14,16H,5H2,1H3
InChIKeyMCEYSZFDLJMROU-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.18
Rot. Bonds3

About 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone

2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 163765835) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone
PubChem CID163765835
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(C(F)(F)F)c1C(=O)CNO
InChIInChI=1S/C10H10F3NO2/c1-6-3-2-4-7(10(11,12)13)9(6)8(15)5-14-16/h2-4,14,16H,5H2,1H3
InChIKeyMCEYSZFDLJMROU-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone (CID 163765835) is 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone is Cc1cccc(C(F)(F)F)c1C(=O)CNO.
What is the InChIKey of 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MCEYSZFDLJMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6-3-2-4-7(10(11,12)13)9(6)8(15)5-14-16/h2-4,14,16H,5H2,1H3.
What are the key properties of 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone?
2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 233.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 163765835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).