1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine

C12H16FN — CID 59204969

IUPAC1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1ccc(N2CCCC2C)c(F)c1
InChIInChI=1S/C12H16FN/c1-9-5-6-12(11(13)8-9)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyZICQKNNOMNDENP-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.12
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine

1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine (PubChem CID 59204969) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine
PubChem CID59204969
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1ccc(N2CCCC2C)c(F)c1
InChIInChI=1S/C12H16FN/c1-9-5-6-12(11(13)8-9)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyZICQKNNOMNDENP-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine (CID 59204969) is 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine is Cc1ccc(N2CCCC2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine?
The InChIKey is ZICQKNNOMNDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-5-6-12(11(13)8-9)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine?
1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 59204969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).