2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide

C7H12F3NO2 — CID 81339925

IUPAC2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(C)C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,3)5(12)11-13-4-7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKeyMIJJQKIOTMTQFC-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.64
Rot. Bonds2

About 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide

2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81339925) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81339925
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(C)C(=O)NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,3)5(12)11-13-4-7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKeyMIJJQKIOTMTQFC-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide (CID 81339925) is 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide is CC(C)(C)C(=O)NOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MIJJQKIOTMTQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,3)5(12)11-13-4-7(8,9)10/h4H2,1-3H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide?
2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 199.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81339925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).