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

C11H14FNO3 — CID 117326465

IUPACO-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
SMILESCC(F)c1cc(CCON)c2c(c1)OCO2
InChIInChI=1S/C11H14FNO3/c1-7(12)9-4-8(2-3-16-13)11-10(5-9)14-6-15-11/h4-5,7H,2-3,6,13H2,1H3
InChIKeyYOJVUASZBKGHPF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.88
Rot. Bonds4

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

O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine (PubChem CID 117326465) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
PubChem CID117326465
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC NameO-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine
SMILESCC(F)c1cc(CCON)c2c(c1)OCO2
InChIInChI=1S/C11H14FNO3/c1-7(12)9-4-8(2-3-16-13)11-10(5-9)14-6-15-11/h4-5,7H,2-3,6,13H2,1H3
InChIKeyYOJVUASZBKGHPF-UHFFFAOYSA-N
XLogP1.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.88
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

O-[2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117364283
O-[[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]hydroxylamine
CID 117326478
2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]acetonitrile
CID 84779364
4-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]butanoic acid
CID 117388533
O-[2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117437374
ethyl 2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]-2-oxoacetate
CID 117423972
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropan-1-ol
CID 117321549
4-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]butan-1-amine
CID 117359470
3-amino-3-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]propanoic acid
CID 117390641
O-[2-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethyl]hydroxylamine
CID 117391048
1-[1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]ethanamine
CID 117381299
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
CID 117417365

Frequently Asked Questions

What is the IUPAC name of O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine (CID 117326465) is O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine is CC(F)c1cc(CCON)c2c(c1)OCO2.
What is the InChIKey of O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine?
The InChIKey is YOJVUASZBKGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7(12)9-4-8(2-3-16-13)11-10(5-9)14-6-15-11/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine?
O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine has a molecular weight of 227.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]ethyl]hydroxylamine is sourced from PubChem (CID 117326465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).