1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine

C8H16F2N2 — CID 130205393

IUPAC1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine
SMILESCC1CC(C(C)C)N(C(F)F)N1
InChIInChI=1S/C8H16F2N2/c1-5(2)7-4-6(3)11-12(7)8(9)10/h5-8,11H,4H2,1-3H3
InChIKeyVMYOEZRNEGHOPU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.83
Rot. Bonds2

About 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine

1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine (PubChem CID 130205393) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine
PubChem CID130205393
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine
SMILESCC1CC(C(C)C)N(C(F)F)N1
InChIInChI=1S/C8H16F2N2/c1-5(2)7-4-6(3)11-12(7)8(9)10/h5-8,11H,4H2,1-3H3
InChIKeyVMYOEZRNEGHOPU-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.83
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 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine?
The IUPAC name of 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine (CID 130205393) is 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine is CC1CC(C(C)C)N(C(F)F)N1.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine?
The InChIKey is VMYOEZRNEGHOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-5(2)7-4-6(3)11-12(7)8(9)10/h5-8,11H,4H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine?
1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine has a molecular weight of 178.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazolidine is sourced from PubChem (CID 130205393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).