1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine

C9H18F2N2 — CID 140573395

IUPAC1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine
SMILESCC(C)C1CC(C)N(CC(F)F)N1
InChIInChI=1S/C9H18F2N2/c1-6(2)8-4-7(3)13(12-8)5-9(10)11/h6-9,12H,4-5H2,1-3H3
InChIKeyPTGLXQMSRCSDJJ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.87
Rot. Bonds3

About 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine

1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine (PubChem CID 140573395) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine
PubChem CID140573395
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine
SMILESCC(C)C1CC(C)N(CC(F)F)N1
InChIInChI=1S/C9H18F2N2/c1-6(2)8-4-7(3)13(12-8)5-9(10)11/h6-9,12H,4-5H2,1-3H3
InChIKeyPTGLXQMSRCSDJJ-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine (CID 140573395) is 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine is CC(C)C1CC(C)N(CC(F)F)N1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine?
The InChIKey is PTGLXQMSRCSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-6(2)8-4-7(3)13(12-8)5-9(10)11/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine?
1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine has a molecular weight of 192.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine is sourced from PubChem (CID 140573395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).