N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide

C10H8F6N2O3 — CID 163176866

IUPACN-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide
SMILESO=C(Nc1ccccc1[NH+]([O-])O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6(5)18(20)21/h1-4,7,18,20H,(H,17,19)
InChIKeyXPKXIDKGCSZKMM-UHFFFAOYSA-N
MW318.17 g/mol
LogP1.77
Rot. Bonds3

About N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide

N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide (PubChem CID 163176866) has the molecular formula C10H8F6N2O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide
PubChem CID163176866
Molecular FormulaC10H8F6N2O3
Molecular Weight318.17 g/mol
Exact Mass318.04
IUPAC NameN-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide
SMILESO=C(Nc1ccccc1[NH+]([O-])O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6(5)18(20)21/h1-4,7,18,20H,(H,17,19)
InChIKeyXPKXIDKGCSZKMM-UHFFFAOYSA-N
XLogP1.77
TPSA76.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 51.77
H-Bond Donors ≤ 53
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-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide?
The IUPAC name of N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide (CID 163176866) is N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide?
The canonical SMILES for N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide is O=C(Nc1ccccc1[NH+]([O-])O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide?
The InChIKey is XPKXIDKGCSZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6(5)18(20)21/h1-4,7,18,20H,(H,17,19).
What are the key properties of N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide?
N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide has a molecular weight of 318.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide is sourced from PubChem (CID 163176866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).