O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine

C10H13F2NO2 — CID 117308959

IUPACO-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine
SMILESCOc1cccc(C(F)F)c1CCON
InChIInChI=1S/C10H13F2NO2/c1-14-9-4-2-3-8(10(11)12)7(9)5-6-15-13/h2-4,10H,5-6,13H2,1H3
InChIKeyQYBDDPAURTZBFE-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.07
Rot. Bonds5

About O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine

O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine (PubChem CID 117308959) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine
PubChem CID117308959
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC NameO-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine
SMILESCOc1cccc(C(F)F)c1CCON
InChIInChI=1S/C10H13F2NO2/c1-14-9-4-2-3-8(10(11)12)7(9)5-6-15-13/h2-4,10H,5-6,13H2,1H3
InChIKeyQYBDDPAURTZBFE-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.07
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

[2-(difluoromethyl)-6-methoxyphenyl]methanesulfonyl chloride
CID 117429504
[2-(difluoromethyl)-6-methoxyphenyl]methyl methanesulfonate
CID 177323170
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene
CID 119003077
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
3-bromo-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-one
CID 134625176
1-[2-(difluoromethyl)-6-methoxyphenyl]-2-(methylamino)ethanone
CID 117330007
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine (CID 117308959) is O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine is COc1cccc(C(F)F)c1CCON.
What is the InChIKey of O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine?
The InChIKey is QYBDDPAURTZBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-9-4-2-3-8(10(11)12)7(9)5-6-15-13/h2-4,10H,5-6,13H2,1H3.
What are the key properties of O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine?
O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine has a molecular weight of 217.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117308959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).