3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine

C13H18FNO — CID 123441685

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO/c1-16-9-8-15-7-6-12(10-15)11-2-4-13(14)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyPZWCDAPGLXAFIR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.26
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine

3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (PubChem CID 123441685) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
PubChem CID123441685
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO/c1-16-9-8-15-7-6-12(10-15)11-2-4-13(14)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyPZWCDAPGLXAFIR-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (CID 123441685) is 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine is COCCN1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is PZWCDAPGLXAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-9-8-15-7-6-12(10-15)11-2-4-13(14)5-3-11/h2-5,12H,6-10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 123441685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).