1-(2,2-difluoroethyl)-4-methylpyrazolidine

C6H12F2N2 — CID 121265443

IUPAC1-(2,2-difluoroethyl)-4-methylpyrazolidine
SMILESCC1CNN(CC(F)F)C1
InChIInChI=1S/C6H12F2N2/c1-5-2-9-10(3-5)4-6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyLRVLQRLXISAOKR-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.71
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylpyrazolidine

1-(2,2-difluoroethyl)-4-methylpyrazolidine (PubChem CID 121265443) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylpyrazolidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylpyrazolidine
PubChem CID121265443
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name1-(2,2-difluoroethyl)-4-methylpyrazolidine
SMILESCC1CNN(CC(F)F)C1
InChIInChI=1S/C6H12F2N2/c1-5-2-9-10(3-5)4-6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyLRVLQRLXISAOKR-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.71
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)-4-methylpyrazolidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylpyrazolidine (CID 121265443) is 1-(2,2-difluoroethyl)-4-methylpyrazolidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylpyrazolidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylpyrazolidine is CC1CNN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylpyrazolidine?
The InChIKey is LRVLQRLXISAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-5-2-9-10(3-5)4-6(7)8/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylpyrazolidine?
1-(2,2-difluoroethyl)-4-methylpyrazolidine has a molecular weight of 150.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylpyrazolidine is sourced from PubChem (CID 121265443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).