2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine

C9H17FN2 — CID 90907392

IUPAC2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine
SMILESCN1CCCC1C1(F)CCCN1
InChIInChI=1S/C9H17FN2/c1-12-7-2-4-8(12)9(10)5-3-6-11-9/h8,11H,2-7H2,1H3
InChIKeyISTRNZIHUNMQIF-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.13
Rot. Bonds1

About 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine

2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine (PubChem CID 90907392) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine
PubChem CID90907392
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine
SMILESCN1CCCC1C1(F)CCCN1
InChIInChI=1S/C9H17FN2/c1-12-7-2-4-8(12)9(10)5-3-6-11-9/h8,11H,2-7H2,1H3
InChIKeyISTRNZIHUNMQIF-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine 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-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine?
The IUPAC name of 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine (CID 90907392) is 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine.
What is the SMILES notation for 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine?
The canonical SMILES for 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine is CN1CCCC1C1(F)CCCN1.
What is the InChIKey of 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine?
The InChIKey is ISTRNZIHUNMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-12-7-2-4-8(12)9(10)5-3-6-11-9/h8,11H,2-7H2,1H3.
What are the key properties of 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine?
2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine has a molecular weight of 172.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylpyrrolidin-2-yl)pyrrolidine is sourced from PubChem (CID 90907392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).