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

C8H16F2N2 — CID 58029930

IUPAC1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine
SMILESCC(C)C1CCN(CC(F)F)N1
InChIInChI=1S/C8H16F2N2/c1-6(2)7-3-4-12(11-7)5-8(9)10/h6-8,11H,3-5H2,1-2H3
InChIKeyIYYCXCNMKBPXRJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.49
Rot. Bonds3

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

1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine (PubChem CID 58029930) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine
PubChem CID58029930
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine
SMILESCC(C)C1CCN(CC(F)F)N1
InChIInChI=1S/C8H16F2N2/c1-6(2)7-3-4-12(11-7)5-8(9)10/h6-8,11H,3-5H2,1-2H3
InChIKeyIYYCXCNMKBPXRJ-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.49
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)-3-propan-2-ylpyrazolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine (CID 58029930) is 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine is CC(C)C1CCN(CC(F)F)N1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine?
The InChIKey is IYYCXCNMKBPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6(2)7-3-4-12(11-7)5-8(9)10/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine?
1-(2,2-difluoroethyl)-3-propan-2-ylpyrazolidine has a molecular weight of 178.23 g/mol, XLogP of 1.49, 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)-3-propan-2-ylpyrazolidine is sourced from PubChem (CID 58029930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).