5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine

C8H15F3N2 — CID 140642498

IUPAC5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine
SMILESCC(C)C1CCNN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-6(2)7-3-4-12-13(7)5-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyHUJSVVFDWXUXGK-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.78
Rot. Bonds2

About 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine

5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine (PubChem CID 140642498) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine.

Molecular Properties

Compound Name5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine
PubChem CID140642498
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine
SMILESCC(C)C1CCNN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-6(2)7-3-4-12-13(7)5-8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyHUJSVVFDWXUXGK-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine 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 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine?
The IUPAC name of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine (CID 140642498) is 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine.
What is the SMILES notation for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine?
The canonical SMILES for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine is CC(C)C1CCNN1CC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine?
The InChIKey is HUJSVVFDWXUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6(2)7-3-4-12-13(7)5-8(9,10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine?
5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine has a molecular weight of 196.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine is sourced from PubChem (CID 140642498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).