1-(difluoromethyl)-3-methylpyrazolidine

C5H10F2N2 — CID 89130017

IUPAC1-(difluoromethyl)-3-methylpyrazolidine
SMILESCC1CCN(C(F)F)N1
InChIInChI=1S/C5H10F2N2/c1-4-2-3-9(8-4)5(6)7/h4-5,8H,2-3H2,1H3
InChIKeyPKWCIBIKDLOPOX-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.81
Rot. Bonds1

About 1-(difluoromethyl)-3-methylpyrazolidine

1-(difluoromethyl)-3-methylpyrazolidine (PubChem CID 89130017) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylpyrazolidine.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylpyrazolidine
PubChem CID89130017
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name1-(difluoromethyl)-3-methylpyrazolidine
SMILESCC1CCN(C(F)F)N1
InChIInChI=1S/C5H10F2N2/c1-4-2-3-9(8-4)5(6)7/h4-5,8H,2-3H2,1H3
InChIKeyPKWCIBIKDLOPOX-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.81
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-methylpyrazolidine?
The IUPAC name of 1-(difluoromethyl)-3-methylpyrazolidine (CID 89130017) is 1-(difluoromethyl)-3-methylpyrazolidine.
What is the SMILES notation for 1-(difluoromethyl)-3-methylpyrazolidine?
The canonical SMILES for 1-(difluoromethyl)-3-methylpyrazolidine is CC1CCN(C(F)F)N1.
What is the InChIKey of 1-(difluoromethyl)-3-methylpyrazolidine?
The InChIKey is PKWCIBIKDLOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-4-2-3-9(8-4)5(6)7/h4-5,8H,2-3H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-methylpyrazolidine?
1-(difluoromethyl)-3-methylpyrazolidine has a molecular weight of 136.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylpyrazolidine is sourced from PubChem (CID 89130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).