1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium

C12H17FNO+ — CID 7446273

IUPAC1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
SMILESFc1ccc(OCC[NH+]2CCCC2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2/p+1
InChIKeyYRLAALVBUZPMDJ-UHFFFAOYSA-O
MW210.27 g/mol
LogP0.88
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium

1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium (PubChem CID 7446273) has the molecular formula C12H17FNO+ and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
PubChem CID7446273
Molecular FormulaC12H17FNO+
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
SMILESFc1ccc(OCC[NH+]2CCCC2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2/p+1
InChIKeyYRLAALVBUZPMDJ-UHFFFAOYSA-O
XLogP0.88
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
CID 2248273
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
CID 7263169
1-[2-(4-methoxyphenoxy)ethyl]azepan-1-ium
CID 7412859
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium
CID 7446205
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4920014
1-[2-[2-(4-chlorophenoxy)ethoxy]ethyl]piperidin-1-ium
CID 2059414
1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
CID 8746986
4-(3-piperidin-1-ium-1-ylpropoxy)benzonitrile
CID 6998989
(E)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate
CID 42229566
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium
CID 9435660
1-[5-(4-ethylphenoxy)pentyl]pyrrolidin-1-ium
CID 2248144

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium (CID 7446273) is 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium is Fc1ccc(OCC[NH+]2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium?
The InChIKey is YRLAALVBUZPMDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16FNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2/p+1.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium?
1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium has a molecular weight of 210.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium is sourced from PubChem (CID 7446273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).