3,3,3-trifluoro-N-(2-methylpropoxy)propanamide

C7H12F3NO2 — CID 115410120

IUPAC3,3,3-trifluoro-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2)4-13-11-6(12)3-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyXHYAHYWQLKJJFY-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.64
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide

3,3,3-trifluoro-N-(2-methylpropoxy)propanamide (PubChem CID 115410120) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methylpropoxy)propanamide
PubChem CID115410120
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3,3,3-trifluoro-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2)4-13-11-6(12)3-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyXHYAHYWQLKJJFY-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.64
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-methylpropoxy)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide (CID 115410120) is 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide is CC(C)CONC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide?
The InChIKey is XHYAHYWQLKJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(2)4-13-11-6(12)3-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,3,3-trifluoro-N-(2-methylpropoxy)propanamide?
3,3,3-trifluoro-N-(2-methylpropoxy)propanamide has a molecular weight of 199.17 g/mol, XLogP of 1.64, 4 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-methylpropoxy)propanamide is sourced from PubChem (CID 115410120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).