1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine

C15H21FN2 — CID 78021133

IUPAC1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
SMILESCc1ccc(N2CCC(N3CCCC3)C2)c(F)c1
InChIInChI=1S/C15H21FN2/c1-12-4-5-15(14(16)10-12)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyZTABFMGEUUKWAZ-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine

1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 78021133) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
PubChem CID78021133
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
SMILESCc1ccc(N2CCC(N3CCCC3)C2)c(F)c1
InChIInChI=1S/C15H21FN2/c1-12-4-5-15(14(16)10-12)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyZTABFMGEUUKWAZ-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine (CID 78021133) is 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine is Cc1ccc(N2CCC(N3CCCC3)C2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is ZTABFMGEUUKWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-12-4-5-15(14(16)10-12)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,10,13H,2-3,6-9,11H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine?
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 248.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 78021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).