1-[6-(2-fluorophenoxy)hexyl]pyrrolidine

C16H24FNO — CID 2059021

IUPAC1-[6-(2-fluorophenoxy)hexyl]pyrrolidine
SMILESFc1ccccc1OCCCCCCN1CCCC1
InChIInChI=1S/C16H24FNO/c17-15-9-3-4-10-16(15)19-14-8-2-1-5-11-18-12-6-7-13-18/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyLONMBINMTRDROA-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.86
Rot. Bonds8

About 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine

1-[6-(2-fluorophenoxy)hexyl]pyrrolidine (PubChem CID 2059021) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine.

Molecular Properties

Compound Name1-[6-(2-fluorophenoxy)hexyl]pyrrolidine
PubChem CID2059021
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[6-(2-fluorophenoxy)hexyl]pyrrolidine
SMILESFc1ccccc1OCCCCCCN1CCCC1
InChIInChI=1S/C16H24FNO/c17-15-9-3-4-10-16(15)19-14-8-2-1-5-11-18-12-6-7-13-18/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyLONMBINMTRDROA-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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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Related Compounds

CID 10866
CID 10866
CID 3149
CID 3149
CID 2057411
CID 2057411
CID 120394
CID 120394
CID 269713
CID 269713
CID 66150
CID 66150
CID 10808677
CID 10808677
CID 2057310
CID 2057310
CID 2248274
CID 2248274
CID 9993978
CID 9993978
CID 10015631
CID 10015631
CID 18678268
CID 18678268

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine?
The IUPAC name of 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine (CID 2059021) is 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine.
What is the SMILES notation for 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine?
The canonical SMILES for 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine is Fc1ccccc1OCCCCCCN1CCCC1.
What is the InChIKey of 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine?
The InChIKey is LONMBINMTRDROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c17-15-9-3-4-10-16(15)19-14-8-2-1-5-11-18-12-6-7-13-18/h3-4,9-10H,1-2,5-8,11-14H2.
What are the key properties of 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine?
1-[6-(2-fluorophenoxy)hexyl]pyrrolidine has a molecular weight of 265.37 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenoxy)hexyl]pyrrolidine is sourced from PubChem (CID 2059021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).