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

C5H5F6NO2 — CID 81340814

IUPAC3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CC(F)(F)F)NOCC(F)(F)F
InChIInChI=1S/C5H5F6NO2/c6-4(7,8)1-3(13)12-14-2-5(9,10)11/h1-2H2,(H,12,13)
InChIKeyQBPRRMHDGQBERG-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.55
Rot. Bonds3

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

3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81340814) has the molecular formula C5H5F6NO2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81340814
Molecular FormulaC5H5F6NO2
Molecular Weight225.09 g/mol
Exact Mass225.02
IUPAC Name3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CC(F)(F)F)NOCC(F)(F)F
InChIInChI=1S/C5H5F6NO2/c6-4(7,8)1-3(13)12-14-2-5(9,10)11/h1-2H2,(H,12,13)
InChIKeyQBPRRMHDGQBERG-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide (CID 81340814) is 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide is O=C(CC(F)(F)F)NOCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QBPRRMHDGQBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO2/c6-4(7,8)1-3(13)12-14-2-5(9,10)11/h1-2H2,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide?
3,3,3-trifluoro-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 225.09 g/mol, XLogP of 1.55, 3 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-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81340814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).