3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide

C7H12F3NO2 — CID 82724610

IUPAC3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,3)13-11-5(12)4-7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKeyGLHQJLDGNCVGFT-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.79
Rot. Bonds2

About 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide

3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 82724610) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID82724610
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)ONC(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,3)13-11-5(12)4-7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKeyGLHQJLDGNCVGFT-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 82724610) is 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)ONC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is GLHQJLDGNCVGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,3)13-11-5(12)4-7(8,9)10/h4H2,1-3H3,(H,11,12).
What are the key properties of 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide?
3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 199.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 82724610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).