2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one

C10H8F3NO2 — CID 159696978

IUPAC2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(=NO)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c1-6(14-16)9(15)7-4-2-3-5-8(7)10(11,12)13/h2-5,16H,1H3
InChIKeyMXDCFSBCTZXPQP-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.74
Rot. Bonds2

About 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one

2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 159696978) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID159696978
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(=NO)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c1-6(14-16)9(15)7-4-2-3-5-8(7)10(11,12)13/h2-5,16H,1H3
InChIKeyMXDCFSBCTZXPQP-UHFFFAOYSA-N
XLogP2.74
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.74
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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Related Compounds

N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951
(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
CID 154038500
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
methyl 2-(trifluoromethyl)benzoate
CID 2775578
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
potassium 2-(trifluoromethyl)benzoate
CID 162538888
N-(2-iminopropyl)-2-(trifluoromethyl)benzamide
CID 145390070
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
2-methyl-2-(methylamino)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 116566489
(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971268

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one (CID 159696978) is 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one is CC(=NO)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is MXDCFSBCTZXPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-6(14-16)9(15)7-4-2-3-5-8(7)10(11,12)13/h2-5,16H,1H3.
What are the key properties of 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one?
2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 231.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 159696978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).