3-fluoro-3-methyl-1-propan-2-ylpyrrolidine

C8H16FN — CID 58148557

IUPAC3-fluoro-3-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(C)(F)C1
InChIInChI=1S/C8H16FN/c1-7(2)10-5-4-8(3,9)6-10/h7H,4-6H2,1-3H3
InChIKeyHKDHWSUNYDDBJY-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds1

About 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine

3-fluoro-3-methyl-1-propan-2-ylpyrrolidine (PubChem CID 58148557) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propan-2-ylpyrrolidine
PubChem CID58148557
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-3-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(C)(F)C1
InChIInChI=1S/C8H16FN/c1-7(2)10-5-4-8(3,9)6-10/h7H,4-6H2,1-3H3
InChIKeyHKDHWSUNYDDBJY-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-3-methyl-1-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 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine (CID 58148557) is 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine is CC(C)N1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is HKDHWSUNYDDBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)10-5-4-8(3,9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine?
3-fluoro-3-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 58148557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).