1-[5-(4-fluorophenoxy)pentyl]pyrrolidine

C15H22FNO — CID 2248274

IUPAC1-[5-(4-fluorophenoxy)pentyl]pyrrolidine
SMILESFc1ccc(OCCCCCN2CCCC2)cc1
InChIInChI=1S/C15H22FNO/c16-14-6-8-15(9-7-14)18-13-5-1-2-10-17-11-3-4-12-17/h6-9H,1-5,10-13H2
InChIKeyUPLJTOSKPPXANM-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.47
Rot. Bonds7

About 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine

1-[5-(4-fluorophenoxy)pentyl]pyrrolidine (PubChem CID 2248274) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine.

Molecular Properties

Compound Name1-[5-(4-fluorophenoxy)pentyl]pyrrolidine
PubChem CID2248274
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[5-(4-fluorophenoxy)pentyl]pyrrolidine
SMILESFc1ccc(OCCCCCN2CCCC2)cc1
InChIInChI=1S/C15H22FNO/c16-14-6-8-15(9-7-14)18-13-5-1-2-10-17-11-3-4-12-17/h6-9H,1-5,10-13H2
InChIKeyUPLJTOSKPPXANM-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine?
The IUPAC name of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine (CID 2248274) is 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine.
What is the SMILES notation for 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine?
The canonical SMILES for 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine is Fc1ccc(OCCCCCN2CCCC2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine?
The InChIKey is UPLJTOSKPPXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-14-6-8-15(9-7-14)18-13-5-1-2-10-17-11-3-4-12-17/h6-9H,1-5,10-13H2.
What are the key properties of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine?
1-[5-(4-fluorophenoxy)pentyl]pyrrolidine has a molecular weight of 251.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenoxy)pentyl]pyrrolidine is sourced from PubChem (CID 2248274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).