4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine

C9H17F3N2 — CID 176833541

IUPAC4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine
SMILESCN1NCC(C(C)(C)C)C1C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-8(2,3)6-5-13-14(4)7(6)9(10,11)12/h6-7,13H,5H2,1-4H3
InChIKeyPDKWUUFZKQTHIT-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.03
Rot. Bonds

About 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine

4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine (PubChem CID 176833541) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine
PubChem CID176833541
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine
SMILESCN1NCC(C(C)(C)C)C1C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-8(2,3)6-5-13-14(4)7(6)9(10,11)12/h6-7,13H,5H2,1-4H3
InChIKeyPDKWUUFZKQTHIT-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine (CID 176833541) is 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine is CN1NCC(C(C)(C)C)C1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine?
The InChIKey is PDKWUUFZKQTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(2,3)6-5-13-14(4)7(6)9(10,11)12/h6-7,13H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine?
4-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazolidine has a molecular weight of 210.24 g/mol, XLogP of 2.03, 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-methyl-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 176833541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).