O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine

C9H10F3NO2 — CID 117315132

IUPACO-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1c(CON)cc(F)cc1C(F)F
InChIInChI=1S/C9H10F3NO2/c1-14-8-5(4-15-13)2-6(10)3-7(8)9(11)12/h2-3,9H,4,13H2,1H3
InChIKeyQQZNWFMBMVRPFR-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.16
Rot. Bonds4

About O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine

O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine (PubChem CID 117315132) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine
PubChem CID117315132
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC NameO-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine
SMILESCOc1c(CON)cc(F)cc1C(F)F
InChIInChI=1S/C9H10F3NO2/c1-14-8-5(4-15-13)2-6(10)3-7(8)9(11)12/h2-3,9H,4,13H2,1H3
InChIKeyQQZNWFMBMVRPFR-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]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

1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol
CID 117311735
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117280695
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117369600
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874

Frequently Asked Questions

What is the IUPAC name of O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine (CID 117315132) is O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine is COc1c(CON)cc(F)cc1C(F)F.
What is the InChIKey of O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine?
The InChIKey is QQZNWFMBMVRPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-14-8-5(4-15-13)2-6(10)3-7(8)9(11)12/h2-3,9H,4,13H2,1H3.
What are the key properties of O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine?
O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine has a molecular weight of 221.18 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 117315132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).