O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine

C9H11F2NO2 — CID 117291282

IUPACO-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(F)c(CCON)c1F
InChIInChI=1S/C9H11F2NO2/c1-13-8-3-2-7(10)6(9(8)11)4-5-14-12/h2-3H,4-5,12H2,1H3
InChIKeyXHINSIMBCCZZNW-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.41
Rot. Bonds4

About O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine

O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117291282) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117291282
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameO-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(F)c(CCON)c1F
InChIInChI=1S/C9H11F2NO2/c1-13-8-3-2-7(10)6(9(8)11)4-5-14-12/h2-3H,4-5,12H2,1H3
InChIKeyXHINSIMBCCZZNW-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

2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362
8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
CID 157048833
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine
CID 117308959
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123

Frequently Asked Questions

What is the IUPAC name of O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine (CID 117291282) is O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine is COc1ccc(F)c(CCON)c1F.
What is the InChIKey of O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is XHINSIMBCCZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-8-3-2-7(10)6(9(8)11)4-5-14-12/h2-3H,4-5,12H2,1H3.
What are the key properties of O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(2,6-difluoro-3-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-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117291282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).