4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine

C9H18F2N2 — CID 176833032

IUPAC4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine
SMILESCN1NCC(C(C)(C)C)C1C(F)F
InChIInChI=1S/C9H18F2N2/c1-9(2,3)6-5-12-13(4)7(6)8(10)11/h6-8,12H,5H2,1-4H3
InChIKeyFQOGMUKBBFVANZ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.73
Rot. Bonds1

About 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine

4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine (PubChem CID 176833032) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine.

Molecular Properties

Compound Name4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine
PubChem CID176833032
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine
SMILESCN1NCC(C(C)(C)C)C1C(F)F
InChIInChI=1S/C9H18F2N2/c1-9(2,3)6-5-12-13(4)7(6)8(10)11/h6-8,12H,5H2,1-4H3
InChIKeyFQOGMUKBBFVANZ-UHFFFAOYSA-N
XLogP1.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Difluoroethyl)-3-propan-2-ylpyrazolidine
CID 58029930
1-(Difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine
CID 130205393
5-Butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine
CID 132245354
1-(2,2-Difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine
CID 135291802
1-[(2R)-3-methylbutan-2-yl]-5-(trifluoromethyl)pyrazolidine
CID 138545373
1-(2,2-Difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine
CID 140573395
1-Methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazolidine
CID 140573428
1-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine
CID 140635648
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine
CID 140642498
4-Tert-butyl-1-(1,3-difluoropropan-2-yl)-1-methylpyrazolidin-1-ium
CID 169804154
4-Tert-butyl-1-(1,2-difluoroethyl)pyrazolidine
CID 169804210
4-Tert-butyl-1-(3,3-difluorocyclobutyl)pyrazolidine
CID 171717384

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine?
The IUPAC name of 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine (CID 176833032) is 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine.
What is the SMILES notation for 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine?
The canonical SMILES for 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine is CN1NCC(C(C)(C)C)C1C(F)F.
What is the InChIKey of 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine?
The InChIKey is FQOGMUKBBFVANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-9(2,3)6-5-12-13(4)7(6)8(10)11/h6-8,12H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine?
4-tert-butyl-5-(difluoromethyl)-1-methylpyrazolidine has a molecular weight of 192.25 g/mol, XLogP of 1.73, 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-methylpyrazolidine is sourced from PubChem (CID 176833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).