2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine

C12H16FN — CID 64687702

IUPAC2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine
SMILESCc1ccc(C2NCCC2C)cc1F
InChIInChI=1S/C12H16FN/c1-8-3-4-10(7-11(8)13)12-9(2)5-6-14-12/h3-4,7,9,12,14H,5-6H2,1-2H3
InChIKeyZYUQLSLVXNXSJM-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.80
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine

2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine (PubChem CID 64687702) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine
PubChem CID64687702
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine
SMILESCc1ccc(C2NCCC2C)cc1F
InChIInChI=1S/C12H16FN/c1-8-3-4-10(7-11(8)13)12-9(2)5-6-14-12/h3-4,7,9,12,14H,5-6H2,1-2H3
InChIKeyZYUQLSLVXNXSJM-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine (CID 64687702) is 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine is Cc1ccc(C2NCCC2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine?
The InChIKey is ZYUQLSLVXNXSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-3-4-10(7-11(8)13)12-9(2)5-6-14-12/h3-4,7,9,12,14H,5-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine?
2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 64687702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).