1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine

C11H22FNO — CID 155298305

IUPAC1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine
SMILESCCC(C)OCCCN1CCC(F)C1
InChIInChI=1S/C11H22FNO/c1-3-10(2)14-8-4-6-13-7-5-11(12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyOEVZEXMIOAZOIC-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds6

About 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine

1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine (PubChem CID 155298305) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine
PubChem CID155298305
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine
SMILESCCC(C)OCCCN1CCC(F)C1
InChIInChI=1S/C11H22FNO/c1-3-10(2)14-8-4-6-13-7-5-11(12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyOEVZEXMIOAZOIC-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine 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 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine?
The IUPAC name of 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine (CID 155298305) is 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine.
What is the SMILES notation for 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine?
The canonical SMILES for 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine is CCC(C)OCCCN1CCC(F)C1.
What is the InChIKey of 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine?
The InChIKey is OEVZEXMIOAZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-3-10(2)14-8-4-6-13-7-5-11(12)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine?
1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxypropyl)-3-fluoropyrrolidine is sourced from PubChem (CID 155298305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).