N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine

C9H10FNO3 — CID 117288231

IUPACN-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
SMILESONCc1cc2c(cc1F)COCO2
InChIInChI=1S/C9H10FNO3/c10-8-1-7-4-13-5-14-9(7)2-6(8)3-11-12/h1-2,11-12H,3-5H2
InChIKeyQEEGNNJFOQCHSA-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.17
Rot. Bonds2

About N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine

N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine (PubChem CID 117288231) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
PubChem CID117288231
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC NameN-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
SMILESONCc1cc2c(cc1F)COCO2
InChIInChI=1S/C9H10FNO3/c10-8-1-7-4-13-5-14-9(7)2-6(8)3-11-12/h1-2,11-12H,3-5H2
InChIKeyQEEGNNJFOQCHSA-UHFFFAOYSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
CID 117301446
N-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117414277
1-(6-fluoro-4H-1,3-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117419384
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117344211
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
1-(6-bromo-4H-1,3-benzodioxin-7-yl)propan-2-ol
CID 117434900
6-fluoro-7-(1-isocyanatocyclopropyl)-4H-1,3-benzodioxine
CID 117341670
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 82685055
4H-1,3-benzodioxin-7-ylmethanol
CID 55255556
7-cyclopropyl-4H-1,3-benzodioxine
CID 175725271

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
The IUPAC name of N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine (CID 117288231) is N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine is ONCc1cc2c(cc1F)COCO2.
What is the InChIKey of N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
The InChIKey is QEEGNNJFOQCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-8-1-7-4-13-5-14-9(7)2-6(8)3-11-12/h1-2,11-12H,3-5H2.
What are the key properties of N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine?
N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine has a molecular weight of 199.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117288231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).