2,2-difluoro-4-propan-2-ylpyrrolidine

C7H13F2N — CID 137391619

IUPAC2,2-difluoro-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CNC(F)(F)C1
InChIInChI=1S/C7H13F2N/c1-5(2)6-3-7(8,9)10-4-6/h5-6,10H,3-4H2,1-2H3
InChIKeyBGRSNCLRSKKOKL-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.84
Rot. Bonds1

About 2,2-difluoro-4-propan-2-ylpyrrolidine

2,2-difluoro-4-propan-2-ylpyrrolidine (PubChem CID 137391619) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 2,2-difluoro-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2,2-difluoro-4-propan-2-ylpyrrolidine
PubChem CID137391619
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name2,2-difluoro-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CNC(F)(F)C1
InChIInChI=1S/C7H13F2N/c1-5(2)6-3-7(8,9)10-4-6/h5-6,10H,3-4H2,1-2H3
InChIKeyBGRSNCLRSKKOKL-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,2-difluoro-4-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-propan-2-ylpyrrolidine?
The IUPAC name of 2,2-difluoro-4-propan-2-ylpyrrolidine (CID 137391619) is 2,2-difluoro-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 2,2-difluoro-4-propan-2-ylpyrrolidine?
The canonical SMILES for 2,2-difluoro-4-propan-2-ylpyrrolidine is CC(C)C1CNC(F)(F)C1.
What is the InChIKey of 2,2-difluoro-4-propan-2-ylpyrrolidine?
The InChIKey is BGRSNCLRSKKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)6-3-7(8,9)10-4-6/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-4-propan-2-ylpyrrolidine?
2,2-difluoro-4-propan-2-ylpyrrolidine has a molecular weight of 149.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 137391619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).