1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one

C10H12FNO2 — CID 1371994

IUPAC1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one
SMILESCC(C)(NO)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-10(2,12-14)9(13)7-3-5-8(11)6-4-7/h3-6,12,14H,1-2H3
InChIKeyJXSCHVXEUGLZLS-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.77
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one

1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one (PubChem CID 1371994) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one
PubChem CID1371994
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one
SMILESCC(C)(NO)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-10(2,12-14)9(13)7-3-5-8(11)6-4-7/h3-6,12,14H,1-2H3
InChIKeyJXSCHVXEUGLZLS-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one (CID 1371994) is 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one is CC(C)(NO)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one?
The InChIKey is JXSCHVXEUGLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-10(2,12-14)9(13)7-3-5-8(11)6-4-7/h3-6,12,14H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one?
1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropan-1-one is sourced from PubChem (CID 1371994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).