2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol

C9H11F2NO3 — CID 117311735

IUPAC2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol
SMILESCOc1cc(CON)c(O)c(C(F)F)c1
InChIInChI=1S/C9H11F2NO3/c1-14-6-2-5(4-15-12)8(13)7(3-6)9(10)11/h2-3,9,13H,4,12H2,1H3
InChIKeyXIPXKBYYNRIWJU-UHFFFAOYSA-N
MW219.19 g/mol
LogP1.73
Rot. Bonds4

About 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol

2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol (PubChem CID 117311735) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol
PubChem CID117311735
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol
SMILESCOc1cc(CON)c(O)c(C(F)F)c1
InChIInChI=1S/C9H11F2NO3/c1-14-6-2-5(4-15-12)8(13)7(3-6)9(10)11/h2-3,9,13H,4,12H2,1H3
InChIKeyXIPXKBYYNRIWJU-UHFFFAOYSA-N
XLogP1.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(difluoromethyl)-2-hydroxy-5-methoxyphenyl]-2-hydroxyacetate
CID 117442001
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine
CID 117315132
2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol
CID 117390497
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
CID 117301823
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
O-[[2-(difluoromethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117280695
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
2-(difluoromethyl)-6-methylbenzene-1,4-diol
CID 84654821
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol?
The IUPAC name of 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol (CID 117311735) is 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol?
The canonical SMILES for 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol is COc1cc(CON)c(O)c(C(F)F)c1.
What is the InChIKey of 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol?
The InChIKey is XIPXKBYYNRIWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c1-14-6-2-5(4-15-12)8(13)7(3-6)9(10)11/h2-3,9,13H,4,12H2,1H3.
What are the key properties of 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol?
2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol has a molecular weight of 219.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol is sourced from PubChem (CID 117311735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).