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

C9H11F2NO2 — CID 115022771

IUPACO-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccccc1C(F)(F)CON
InChIInChI=1S/C9H11F2NO2/c1-13-8-5-3-2-4-7(8)9(10,11)6-14-12/h2-5H,6,12H2,1H3
InChIKeyCKJCCZHYMMSIEZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.68
Rot. Bonds4

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

O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 115022771) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
PubChem CID115022771
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameO-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccccc1C(F)(F)CON
InChIInChI=1S/C9H11F2NO2/c1-13-8-5-3-2-4-7(8)9(10,11)6-14-12/h2-5H,6,12H2,1H3
InChIKeyCKJCCZHYMMSIEZ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
3-fluoro-3-(2-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 105483183
3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
CID 105484527
N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
CID 10082529
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
3-chloro-1,1-difluoro-1-(2-methoxyphenyl)propan-2-one
CID 91927385
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 105468433
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758

Frequently Asked Questions

What is the IUPAC name of O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine (CID 115022771) is O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine is COc1ccccc1C(F)(F)CON.
What is the InChIKey of O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is CKJCCZHYMMSIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-8-5-3-2-4-7(8)9(10,11)6-14-12/h2-5H,6,12H2,1H3.
What are the key properties of O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine?
O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 203.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 115022771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).