[2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate

C10H14F3NO5 — CID 163286791

IUPAC[2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate
SMILESCN(CC(=O)OOC(=O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H14F3NO5/c1-14(7-2-4-17-5-3-7)6-8(15)18-19-9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyYBLFHFDGKZDLDS-UHFFFAOYSA-N
MW285.22 g/mol
LogP0.66
Rot. Bonds3

About [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate

[2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate (PubChem CID 163286791) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate.

Molecular Properties

Compound Name[2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate
PubChem CID163286791
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name[2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate
SMILESCN(CC(=O)OOC(=O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H14F3NO5/c1-14(7-2-4-17-5-3-7)6-8(15)18-19-9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyYBLFHFDGKZDLDS-UHFFFAOYSA-N
XLogP0.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate?
The IUPAC name of [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate (CID 163286791) is [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate.
What is the SMILES notation for [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate?
The canonical SMILES for [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate is CN(CC(=O)OOC(=O)C(F)(F)F)C1CCOCC1.
What is the InChIKey of [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate?
The InChIKey is YBLFHFDGKZDLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-14(7-2-4-17-5-3-7)6-8(15)18-19-9(16)10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate?
[2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate has a molecular weight of 285.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxan-4-yl)amino]acetyl] 2,2,2-trifluoroethaneperoxoate is sourced from PubChem (CID 163286791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).