N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine

C10H12FNO3 — CID 117303638

IUPACN-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine
SMILESONCc1c(F)ccc2c1OCCCO2
InChIInChI=1S/C10H12FNO3/c11-8-2-3-9-10(7(8)6-12-13)15-5-1-4-14-9/h2-3,12-13H,1,4-6H2
InChIKeyBLOGPZUXOCQXFR-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.47
Rot. Bonds2

About N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine

N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine (PubChem CID 117303638) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine
PubChem CID117303638
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC NameN-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine
SMILESONCc1c(F)ccc2c1OCCCO2
InChIInChI=1S/C10H12FNO3/c11-8-2-3-9-10(7(8)6-12-13)15-5-1-4-14-9/h2-3,12-13H,1,4-6H2
InChIKeyBLOGPZUXOCQXFR-UHFFFAOYSA-N
XLogP1.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.47
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

3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanal
CID 117321525
O-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117288202
6-(hydroxymethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 84666714
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,5-difluoroaniline
CID 43583399
methyl 2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-hydroxyacetate
CID 117393530
3-amino-3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanoic acid
CID 117390640
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]hydroxylamine
CID 117331335
3-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343355
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-ol
CID 117325345
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-5-amine
CID 117375445
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine?
The IUPAC name of N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine (CID 117303638) is N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine is ONCc1c(F)ccc2c1OCCCO2.
What is the InChIKey of N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine?
The InChIKey is BLOGPZUXOCQXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-2-3-9-10(7(8)6-12-13)15-5-1-4-14-9/h2-3,12-13H,1,4-6H2.
What are the key properties of N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine?
N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine has a molecular weight of 213.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]hydroxylamine is sourced from PubChem (CID 117303638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).