N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine

C8H9F2NO2 — CID 117281310

IUPACN-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1c(F)ccc(F)c1CNO
InChIInChI=1S/C8H9F2NO2/c1-13-8-5(4-11-12)6(9)2-3-7(8)10/h2-3,11-12H,4H2,1H3
InChIKeyJMJOZKVYBSUHRZ-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.45
Rot. Bonds3

About N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine

N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117281310) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
PubChem CID117281310
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC NameN-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1c(F)ccc(F)c1CNO
InChIInChI=1S/C8H9F2NO2/c1-13-8-5(4-11-12)6(9)2-3-7(8)10/h2-3,11-12H,4H2,1H3
InChIKeyJMJOZKVYBSUHRZ-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
CID 117281308
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 117449341
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
N-[(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117414317
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
CID 130954694

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine (CID 117281310) is N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine is COc1c(F)ccc(F)c1CNO.
What is the InChIKey of N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is JMJOZKVYBSUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-13-8-5(4-11-12)6(9)2-3-7(8)10/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine?
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 189.16 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117281310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).