4-tert-butyl-1-(trifluoromethyl)pyrazolidine

C8H15F3N2 — CID 171717385

IUPAC4-tert-butyl-1-(trifluoromethyl)pyrazolidine
SMILESCC(C)(C)C1CNN(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(2,3)6-4-12-13(5-6)8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyAJSLNLJAQPZIGW-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.99
Rot. Bonds

About 4-tert-butyl-1-(trifluoromethyl)pyrazolidine

4-tert-butyl-1-(trifluoromethyl)pyrazolidine (PubChem CID 171717385) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-tert-butyl-1-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name4-tert-butyl-1-(trifluoromethyl)pyrazolidine
PubChem CID171717385
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name4-tert-butyl-1-(trifluoromethyl)pyrazolidine
SMILESCC(C)(C)C1CNN(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(2,3)6-4-12-13(5-6)8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyAJSLNLJAQPZIGW-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(trifluoromethyl)pyrazolidine?
The IUPAC name of 4-tert-butyl-1-(trifluoromethyl)pyrazolidine (CID 171717385) is 4-tert-butyl-1-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 4-tert-butyl-1-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 4-tert-butyl-1-(trifluoromethyl)pyrazolidine is CC(C)(C)C1CNN(C(F)(F)F)C1.
What is the InChIKey of 4-tert-butyl-1-(trifluoromethyl)pyrazolidine?
The InChIKey is AJSLNLJAQPZIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(2,3)6-4-12-13(5-6)8(9,10)11/h6,12H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(trifluoromethyl)pyrazolidine?
4-tert-butyl-1-(trifluoromethyl)pyrazolidine has a molecular weight of 196.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 171717385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).