O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine

C9H11F2NO — CID 117280695

IUPACO-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
SMILESCc1ccc(C(F)F)c(CON)c1
InChIInChI=1S/C9H11F2NO/c1-6-2-3-8(9(10)11)7(4-6)5-13-12/h2-4,9H,5,12H2,1H3
InChIKeyJQZLRKRSTMNOPR-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.32
Rot. Bonds3

About O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine

O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine (PubChem CID 117280695) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
PubChem CID117280695
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameO-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
SMILESCc1ccc(C(F)F)c(CON)c1
InChIInChI=1S/C9H11F2NO/c1-6-2-3-8(9(10)11)7(4-6)5-13-12/h2-4,9H,5,12H2,1H3
InChIKeyJQZLRKRSTMNOPR-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
CID 117307584
1-[2-(difluoromethyl)-5-methylphenyl]propan-2-ol
CID 117289314
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
3-[2-(difluoromethyl)-5-methylphenyl]butan-1-amine
CID 117304369
2-(difluoromethyl)-1-methanidyl-4-methylbenzene;rhodium
CID 59407927
2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
CID 84679608
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
1-bromo-3-[2-(difluoromethyl)-4-methylphenyl]propan-2-one
CID 134616126
1-(difluoromethyl)-2-ethynyl-4-methylbenzene
CID 161472614

Frequently Asked Questions

What is the IUPAC name of O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine (CID 117280695) is O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine is Cc1ccc(C(F)F)c(CON)c1.
What is the InChIKey of O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine?
The InChIKey is JQZLRKRSTMNOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6-2-3-8(9(10)11)7(4-6)5-13-12/h2-4,9H,5,12H2,1H3.
What are the key properties of O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine?
O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine has a molecular weight of 187.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).