3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine

C12H16FNO2 — CID 141066330

IUPAC3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine
SMILESCOc1ccccc1OCN1CCC(F)C1
InChIInChI=1S/C12H16FNO2/c1-15-11-4-2-3-5-12(11)16-9-14-7-6-10(13)8-14/h2-5,10H,6-9H2,1H3
InChIKeyCKABOMOTHBLIIJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine

3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine (PubChem CID 141066330) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine
PubChem CID141066330
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine
SMILESCOc1ccccc1OCN1CCC(F)C1
InChIInChI=1S/C12H16FNO2/c1-15-11-4-2-3-5-12(11)16-9-14-7-6-10(13)8-14/h2-5,10H,6-9H2,1H3
InChIKeyCKABOMOTHBLIIJ-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
(3aS,6aR)-5-[2-(2-methoxyphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120663775
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine (CID 141066330) is 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine is COc1ccccc1OCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine?
The InChIKey is CKABOMOTHBLIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-11-4-2-3-5-12(11)16-9-14-7-6-10(13)8-14/h2-5,10H,6-9H2,1H3.
What are the key properties of 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine?
3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine has a molecular weight of 225.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 141066330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).