3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide

C7H8F3NO3 — CID 71064663

IUPAC3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide
SMILESO=C(CC(F)(F)F)NC1CCOC1=O
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-5(12)11-4-1-2-14-6(4)13/h4H,1-3H2,(H,11,12)
InChIKeyHRQXRGURVVQCFD-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.37
Rot. Bonds2

About 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide

3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide (PubChem CID 71064663) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide
PubChem CID71064663
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide
SMILESO=C(CC(F)(F)F)NC1CCOC1=O
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-5(12)11-4-1-2-14-6(4)13/h4H,1-3H2,(H,11,12)
InChIKeyHRQXRGURVVQCFD-UHFFFAOYSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)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-oxooxolan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide (CID 71064663) is 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide is O=C(CC(F)(F)F)NC1CCOC1=O.
What is the InChIKey of 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide?
The InChIKey is HRQXRGURVVQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)3-5(12)11-4-1-2-14-6(4)13/h4H,1-3H2,(H,11,12).
What are the key properties of 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide?
3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide has a molecular weight of 211.14 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide is sourced from PubChem (CID 71064663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).