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

C8H9F2NO2 — CID 117281308

IUPACN-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(F)c(F)c1CNO
InChIInChI=1S/C8H9F2NO2/c1-13-7-3-2-6(9)8(10)5(7)4-11-12/h2-3,11-12H,4H2,1H3
InChIKeyKRHGERIFVIPSMT-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.45
Rot. Bonds3

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

N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117281308) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
PubChem CID117281308
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC NameN-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(F)c(F)c1CNO
InChIInChI=1S/C8H9F2NO2/c1-13-7-3-2-6(9)8(10)5(7)4-11-12/h2-3,11-12H,4H2,1H3
InChIKeyKRHGERIFVIPSMT-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-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
1-(2,3-difluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889458
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
CID 84777573
ethyl 2-amino-3-(2,3-difluoro-6-methoxyphenyl)propanoate
CID 170885225
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol
CID 166065798
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
CID 88999246
CID 88999246
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine (CID 117281308) is N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine is COc1ccc(F)c(F)c1CNO.
What is the InChIKey of N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is KRHGERIFVIPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-13-7-3-2-6(9)8(10)5(7)4-11-12/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine?
N-[(2,3-difluoro-6-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-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117281308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).