N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide

C8H13F3N2O — CID 20645502

IUPACN-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCC1C(NC(=O)C(F)(F)F)CCN1C
InChIInChI=1S/C8H13F3N2O/c1-5-6(3-4-13(5)2)12-7(14)8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeySNHWBKDWMFOQKG-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds1

About N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide

N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 20645502) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID20645502
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCC1C(NC(=O)C(F)(F)F)CCN1C
InChIInChI=1S/C8H13F3N2O/c1-5-6(3-4-13(5)2)12-7(14)8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeySNHWBKDWMFOQKG-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide 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 N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide (CID 20645502) is N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide is CC1C(NC(=O)C(F)(F)F)CCN1C.
What is the InChIKey of N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is SNHWBKDWMFOQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5-6(3-4-13(5)2)12-7(14)8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide?
N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 210.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 20645502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).