N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide

C5H4F3NO3 — CID 163182270

IUPACN-hydroxy-5-(trifluoromethyl)furan-2-amine oxide
SMILES[O-][NH+](O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3NO3/c6-5(7,8)3-1-2-4(12-3)9(10)11/h1-2,9-10H
InChIKeyZOLPXOPRJVSPSZ-UHFFFAOYSA-N
MW183.08 g/mol
LogP0.70
Rot. Bonds1

About N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide

N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide (PubChem CID 163182270) has the molecular formula C5H4F3NO3 and a molecular weight of 183.08 g/mol. Its IUPAC name is N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide.

Molecular Properties

Compound NameN-hydroxy-5-(trifluoromethyl)furan-2-amine oxide
PubChem CID163182270
Molecular FormulaC5H4F3NO3
Molecular Weight183.08 g/mol
Exact Mass183.01
IUPAC NameN-hydroxy-5-(trifluoromethyl)furan-2-amine oxide
SMILES[O-][NH+](O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H4F3NO3/c6-5(7,8)3-1-2-4(12-3)9(10)11/h1-2,9-10H
InChIKeyZOLPXOPRJVSPSZ-UHFFFAOYSA-N
XLogP0.70
TPSA60.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide?
The IUPAC name of N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide (CID 163182270) is N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide.
What is the SMILES notation for N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide?
The canonical SMILES for N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide is [O-][NH+](O)c1ccc(C(F)(F)F)o1.
What is the InChIKey of N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide?
The InChIKey is ZOLPXOPRJVSPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO3/c6-5(7,8)3-1-2-4(12-3)9(10)11/h1-2,9-10H.
What are the key properties of N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide?
N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide has a molecular weight of 183.08 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(trifluoromethyl)furan-2-amine oxide is sourced from PubChem (CID 163182270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).