O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine

C10H12FNO3 — CID 117303633

IUPACO-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
SMILESNOCc1cc(F)c2c(c1)OCCCO2
InChIInChI=1S/C10H12FNO3/c11-8-4-7(6-15-12)5-9-10(8)14-3-1-2-13-9/h4-5H,1-3,6,12H2
InChIKeyKCZNHUNEEWFZRW-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.38
Rot. Bonds2

About O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine

O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine (PubChem CID 117303633) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
PubChem CID117303633
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC NameO-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
SMILESNOCc1cc(F)c2c(c1)OCCCO2
InChIInChI=1S/C10H12FNO3/c11-8-4-7(6-15-12)5-9-10(8)14-3-1-2-13-9/h4-5H,1-3,6,12H2
InChIKeyKCZNHUNEEWFZRW-UHFFFAOYSA-N
XLogP1.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
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-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306
O-[(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
CID 117372293
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
2-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117381311
1-(azetidin-1-yl)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 123365132
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
3-amino-3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117390644
O-[2-(8-bromo-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethyl]hydroxylamine
CID 117491175
O-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117288202
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine
CID 43143769
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylpropan-1-ol
CID 117353309

Frequently Asked Questions

What is the IUPAC name of O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine (CID 117303633) is O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine is NOCc1cc(F)c2c(c1)OCCCO2.
What is the InChIKey of O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine?
The InChIKey is KCZNHUNEEWFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-4-7(6-15-12)5-9-10(8)14-3-1-2-13-9/h4-5H,1-3,6,12H2.
What are the key properties of O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine?
O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine has a molecular weight of 213.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine is sourced from PubChem (CID 117303633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).