O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine

C10H12FNO4 — CID 117329917

IUPACO-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
SMILESCOc1c(F)cc2c(c1CCON)OCO2
InChIInChI=1S/C10H12FNO4/c1-13-9-6(2-3-16-12)10-8(4-7(9)11)14-5-15-10/h4H,2-3,5,12H2,1H3
InChIKeyARYRCEYBADSJGJ-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.00
Rot. Bonds4

About O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine

O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine (PubChem CID 117329917) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
PubChem CID117329917
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC NameO-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
SMILESCOc1c(F)cc2c(c1CCON)OCO2
InChIInChI=1S/C10H12FNO4/c1-13-9-6(2-3-16-12)10-8(4-7(9)11)14-5-15-10/h4H,2-3,5,12H2,1H3
InChIKeyARYRCEYBADSJGJ-UHFFFAOYSA-N
XLogP1.00
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 84703771
O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117285083
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
CID 84712248
1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-2-amine
CID 117391135
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
CID 117326465
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
3-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine
CID 117354821

Frequently Asked Questions

What is the IUPAC name of O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine (CID 117329917) is O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine is COc1c(F)cc2c(c1CCON)OCO2.
What is the InChIKey of O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
The InChIKey is ARYRCEYBADSJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-13-9-6(2-3-16-12)10-8(4-7(9)11)14-5-15-10/h4H,2-3,5,12H2,1H3.
What are the key properties of O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine?
O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine has a molecular weight of 229.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117329917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).