4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine

C11H20F2N2 — CID 171717384

IUPAC4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine
SMILESCC(C)(C)C1CNN(C2CC(F)(F)C2)C1
InChIInChI=1S/C11H20F2N2/c1-10(2,3)8-6-14-15(7-8)9-4-11(12,13)5-9/h8-9,14H,4-7H2,1-3H3
InChIKeyHBSRZOLZNXSXJJ-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.27
Rot. Bonds1

About 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine

4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine (PubChem CID 171717384) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine.

Molecular Properties

Compound Name4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine
PubChem CID171717384
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine
SMILESCC(C)(C)C1CNN(C2CC(F)(F)C2)C1
InChIInChI=1S/C11H20F2N2/c1-10(2,3)8-6-14-15(7-8)9-4-11(12,13)5-9/h8-9,14H,4-7H2,1-3H3
InChIKeyHBSRZOLZNXSXJJ-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.27
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-(3,3-difluorocyclobutyl)pyrazolidine?
The IUPAC name of 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine (CID 171717384) is 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine.
What is the SMILES notation for 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine?
The canonical SMILES for 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine is CC(C)(C)C1CNN(C2CC(F)(F)C2)C1.
What is the InChIKey of 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine?
The InChIKey is HBSRZOLZNXSXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-10(2,3)8-6-14-15(7-8)9-4-11(12,13)5-9/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine?
4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine has a molecular weight of 218.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine is sourced from PubChem (CID 171717384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).