1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine

C16H24FNO — CID 11978506

IUPAC1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine
SMILESFc1ccc(CCCOCCCN2CCCC2)cc1
InChIInChI=1S/C16H24FNO/c17-16-8-6-15(7-9-16)5-3-13-19-14-4-12-18-10-1-2-11-18/h6-9H,1-5,10-14H2
InChIKeyIQUQYHNPFXIJRZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.26
Rot. Bonds8

About 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine

1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine (PubChem CID 11978506) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine
PubChem CID11978506
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine
SMILESFc1ccc(CCCOCCCN2CCCC2)cc1
InChIInChI=1S/C16H24FNO/c17-16-8-6-15(7-9-16)5-3-13-19-14-4-12-18-10-1-2-11-18/h6-9H,1-5,10-14H2
InChIKeyIQUQYHNPFXIJRZ-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.26
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-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine?
The IUPAC name of 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine (CID 11978506) is 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine.
What is the SMILES notation for 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine?
The canonical SMILES for 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine is Fc1ccc(CCCOCCCN2CCCC2)cc1.
What is the InChIKey of 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine?
The InChIKey is IQUQYHNPFXIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c17-16-8-6-15(7-9-16)5-3-13-19-14-4-12-18-10-1-2-11-18/h6-9H,1-5,10-14H2.
What are the key properties of 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine?
1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine has a molecular weight of 265.37 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluorophenyl)propoxy]propyl]pyrrolidine is sourced from PubChem (CID 11978506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).