[(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite

C7H14FNO4 — CID 155782234

IUPAC[(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite
SMILESCCC(O)C(C)C(=O)N(C)OOF
InChIInChI=1S/C7H14FNO4/c1-4-6(10)5(2)7(11)9(3)13-12-8/h5-6,10H,4H2,1-3H3
InChIKeyAAMQDUXSKNNZIE-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.60
Rot. Bonds5

About [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite

[(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite (PubChem CID 155782234) has the molecular formula C7H14FNO4 and a molecular weight of 195.19 g/mol. Its IUPAC name is [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite.

Molecular Properties

Compound Name[(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite
PubChem CID155782234
Molecular FormulaC7H14FNO4
Molecular Weight195.19 g/mol
Exact Mass195.09
IUPAC Name[(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite
SMILESCCC(O)C(C)C(=O)N(C)OOF
InChIInChI=1S/C7H14FNO4/c1-4-6(10)5(2)7(11)9(3)13-12-8/h5-6,10H,4H2,1-3H3
InChIKeyAAMQDUXSKNNZIE-UHFFFAOYSA-N
XLogP0.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite?
The IUPAC name of [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite (CID 155782234) is [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite.
What is the SMILES notation for [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite?
The canonical SMILES for [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite is CCC(O)C(C)C(=O)N(C)OOF.
What is the InChIKey of [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite?
The InChIKey is AAMQDUXSKNNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO4/c1-4-6(10)5(2)7(11)9(3)13-12-8/h5-6,10H,4H2,1-3H3.
What are the key properties of [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite?
[(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite has a molecular weight of 195.19 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-hydroxy-2-methylpentanoyl)-methylamino]oxy hypofluorite is sourced from PubChem (CID 155782234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).