O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine

C10H12FNO4 — CID 117329921

IUPACO-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
SMILESCOc1cc2c(c(CON)c1F)OCCO2
InChIInChI=1S/C10H12FNO4/c1-13-7-4-8-10(15-3-2-14-8)6(5-16-12)9(7)11/h4H,2-3,5,12H2,1H3
InChIKeyHRJYPBWAQBZLGQ-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.00
Rot. Bonds3

About O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine

O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine (PubChem CID 117329921) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
PubChem CID117329921
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC NameO-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
SMILESCOc1cc2c(c(CON)c1F)OCCO2
InChIInChI=1S/C10H12FNO4/c1-13-7-4-8-10(15-3-2-14-8)6(5-16-12)9(7)11/h4H,2-3,5,12H2,1H3
InChIKeyHRJYPBWAQBZLGQ-UHFFFAOYSA-N
XLogP1.00
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

2-amino-3-(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117430623
5-(aminooxymethyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117441552
O-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117288202
5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
CID 135381377
(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
CID 117289027
3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
O-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117298626
O-[2-(8-bromo-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethyl]hydroxylamine
CID 117491175
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-2-amine
CID 117391135
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylethanamine
CID 117397885

Frequently Asked Questions

What is the IUPAC name of O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine (CID 117329921) is O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine is COc1cc2c(c(CON)c1F)OCCO2.
What is the InChIKey of O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
The InChIKey is HRJYPBWAQBZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-13-7-4-8-10(15-3-2-14-8)6(5-16-12)9(7)11/h4H,2-3,5,12H2,1H3.
What are the key properties of O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine has a molecular weight of 229.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117329921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).