1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium

C15H23FNO+ — CID 2248273

IUPAC1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
SMILESFc1ccc(OCCCCC[NH+]2CCCC2)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/p+1
InChIKeyUPLJTOSKPPXANM-UHFFFAOYSA-O
MW252.35 g/mol
LogP2.05
Rot. Bonds7

About 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium

1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium (PubChem CID 2248273) has the molecular formula C15H23FNO+ and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
PubChem CID2248273
Molecular FormulaC15H23FNO+
Molecular Weight252.35 g/mol
Exact Mass252.18
IUPAC Name1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
SMILESFc1ccc(OCCCCC[NH+]2CCCC2)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/p+1
InChIKeyUPLJTOSKPPXANM-UHFFFAOYSA-O
XLogP2.05
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446273
1-[5-(4-ethylphenoxy)pentyl]pyrrolidin-1-ium
CID 2248144
(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2184520
1-[4-(4-fluorophenoxy)butyl]-3,5-dimethylpiperidin-1-ium chloride
CID 44655913
1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
CID 7263169
4-(3-piperidin-1-ium-1-ylpropoxy)benzonitrile
CID 6998989
1-[5-(3-methoxyphenoxy)pentyl]pyrrolidin-1-ium
CID 2232738
1-[4-(3,5-dimethylphenoxy)butyl]pyrrolidin-1-ium
CID 2246495
1-[4-(4-chloro-3-methylphenoxy)butyl]piperidin-1-ium
CID 2262981
1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
CID 2057428
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium?
The IUPAC name of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium (CID 2248273) is 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium.
What is the SMILES notation for 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium?
The canonical SMILES for 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium is Fc1ccc(OCCCCC[NH+]2CCCC2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium?
The InChIKey is UPLJTOSKPPXANM-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium?
1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium has a molecular weight of 252.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium is sourced from PubChem (CID 2248273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).