4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine

C10H20F2N2 — CID 176833230

IUPAC4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine
SMILESCC1NN(C)C(C(F)F)C1C(C)(C)C
InChIInChI=1S/C10H20F2N2/c1-6-7(10(2,3)4)8(9(11)12)14(5)13-6/h6-9,13H,1-5H3
InChIKeyPUDYWMVBOOCHPT-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.12
Rot. Bonds1

About 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine

4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine (PubChem CID 176833230) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine.

Molecular Properties

Compound Name4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine
PubChem CID176833230
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine
SMILESCC1NN(C)C(C(F)F)C1C(C)(C)C
InChIInChI=1S/C10H20F2N2/c1-6-7(10(2,3)4)8(9(11)12)14(5)13-6/h6-9,13H,1-5H3
InChIKeyPUDYWMVBOOCHPT-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine?
The IUPAC name of 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine (CID 176833230) is 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine.
What is the SMILES notation for 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine?
The canonical SMILES for 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine is CC1NN(C)C(C(F)F)C1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine?
The InChIKey is PUDYWMVBOOCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-6-7(10(2,3)4)8(9(11)12)14(5)13-6/h6-9,13H,1-5H3.
What are the key properties of 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine?
4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine has a molecular weight of 206.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(difluoromethyl)-1,3-dimethylpyrazolidine is sourced from PubChem (CID 176833230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).