O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine

C9H11F2NO2 — CID 117291281

IUPACO-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cc(F)cc(F)c1CCON
InChIInChI=1S/C9H11F2NO2/c1-13-9-5-6(10)4-8(11)7(9)2-3-14-12/h4-5H,2-3,12H2,1H3
InChIKeyGYPOAPWWWRMKAS-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.41
Rot. Bonds4

About O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine

O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117291281) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117291281
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameO-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cc(F)cc(F)c1CCON
InChIInChI=1S/C9H11F2NO2/c1-13-9-5-6(10)4-8(11)7(9)2-3-14-12/h4-5H,2-3,12H2,1H3
InChIKeyGYPOAPWWWRMKAS-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
2-(2,4-difluoro-6-methoxyphenyl)acetonitrile
CID 84768896
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117445533
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380865

Frequently Asked Questions

What is the IUPAC name of O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine (CID 117291281) is O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine is COc1cc(F)cc(F)c1CCON.
What is the InChIKey of O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is GYPOAPWWWRMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-9-5-6(10)4-8(11)7(9)2-3-14-12/h4-5H,2-3,12H2,1H3.
What are the key properties of O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 203.19 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117291281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).