O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine

C9H11F2NO2 — CID 117291293

IUPACO-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1c(F)cc(CCON)cc1F
InChIInChI=1S/C9H11F2NO2/c1-13-9-7(10)4-6(2-3-14-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKeyPBNLFQBCQCCQGD-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.41
Rot. Bonds4

About O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine

O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117291293) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117291293
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameO-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1c(F)cc(CCON)cc1F
InChIInChI=1S/C9H11F2NO2/c1-13-9-7(10)4-6(2-3-14-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKeyPBNLFQBCQCCQGD-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'}

Analyze O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592
methyl 5-(2-aminooxyethyl)-2,3-difluorobenzoate
CID 117333559
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
O-[2-(7-fluoro-1,3-dimethylindol-5-yl)ethyl]hydroxylamine
CID 117318086
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]hydroxylamine
CID 117280138
butyl 3-(3,5-difluoro-4-methoxyphenyl)propanoate
CID 66734188
5-(2-aminooxyethyl)-2-methoxy-3-methylbenzonitrile
CID 117294814

Frequently Asked Questions

What is the IUPAC name of O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine (CID 117291293) is O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine is COc1c(F)cc(CCON)cc1F.
What is the InChIKey of O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is PBNLFQBCQCCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-13-9-7(10)4-6(2-3-14-12)5-8(9)11/h4-5H,2-3,12H2,1H3.
What are the key properties of O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(3,5-difluoro-4-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-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117291293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).