2-aminoethaneperoxoic acid;hydrofluoride

C2H6FNO3 — CID 88599303

IUPAC2-aminoethaneperoxoic acid;hydrofluoride
SMILESF.NCC(=O)OO
InChIInChI=1S/C2H5NO3.FH/c3-1-2(4)6-5;/h5H,1,3H2;1H
InChIKeyJIJKICVERFCUPF-UHFFFAOYSA-N
MW111.07 g/mol
LogP-0.89
Rot. Bonds1

About 2-aminoethaneperoxoic acid;hydrofluoride

2-aminoethaneperoxoic acid;hydrofluoride (PubChem CID 88599303) has the molecular formula C2H6FNO3 and a molecular weight of 111.07 g/mol. Its IUPAC name is 2-aminoethaneperoxoic acid;hydrofluoride.

Molecular Properties

Compound Name2-aminoethaneperoxoic acid;hydrofluoride
PubChem CID88599303
Molecular FormulaC2H6FNO3
Molecular Weight111.07 g/mol
Exact Mass111.03
IUPAC Name2-aminoethaneperoxoic acid;hydrofluoride
SMILESF.NCC(=O)OO
InChIInChI=1S/C2H5NO3.FH/c3-1-2(4)6-5;/h5H,1,3H2;1H
InChIKeyJIJKICVERFCUPF-UHFFFAOYSA-N
XLogP-0.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.07
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanol;ethyl 2-aminoacetate
CID 174720999
4-aminobutaneperoxoic acid
CID 10887886
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
amino 2-aminoacetate;zinc
CID 87197519
bis(2-aminoacetyl) oxalate
CID 88769554
CID 18415084
CID 18415084
ethyl 2-aminoacetate
CID 45039361
CID 156803859
CID 156803859
CID 172995547
CID 172995547
12-aminododecaneperoxoic acid
CID 19931514
6-aminohexaneperoxoic acid
CID 22717715
acetic acid;(2-aminoacetyl) 2-aminoacetate
CID 174797660

Frequently Asked Questions

What is the IUPAC name of 2-aminoethaneperoxoic acid;hydrofluoride?
The IUPAC name of 2-aminoethaneperoxoic acid;hydrofluoride (CID 88599303) is 2-aminoethaneperoxoic acid;hydrofluoride.
What is the SMILES notation for 2-aminoethaneperoxoic acid;hydrofluoride?
The canonical SMILES for 2-aminoethaneperoxoic acid;hydrofluoride is F.NCC(=O)OO.
What is the InChIKey of 2-aminoethaneperoxoic acid;hydrofluoride?
The InChIKey is JIJKICVERFCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.FH/c3-1-2(4)6-5;/h5H,1,3H2;1H.
What are the key properties of 2-aminoethaneperoxoic acid;hydrofluoride?
2-aminoethaneperoxoic acid;hydrofluoride has a molecular weight of 111.07 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethaneperoxoic acid;hydrofluoride is sourced from PubChem (CID 88599303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).