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

C12H16FN — CID 130900633

IUPAC3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
SMILESCc1cc(C2CNCC2C)ccc1F
InChIInChI=1S/C12H16FN/c1-8-5-10(3-4-12(8)13)11-7-14-6-9(11)2/h3-5,9,11,14H,6-7H2,1-2H3
InChIKeyXDPYYMRHDNZEJM-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.46
Rot. Bonds1

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

3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine (PubChem CID 130900633) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
PubChem CID130900633
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
SMILESCc1cc(C2CNCC2C)ccc1F
InChIInChI=1S/C12H16FN/c1-8-5-10(3-4-12(8)13)11-7-14-6-9(11)2/h3-5,9,11,14H,6-7H2,1-2H3
InChIKeyXDPYYMRHDNZEJM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine (CID 130900633) is 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine is Cc1cc(C2CNCC2C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine?
The InChIKey is XDPYYMRHDNZEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-10(3-4-12(8)13)11-7-14-6-9(11)2/h3-5,9,11,14H,6-7H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine?
3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine is sourced from PubChem (CID 130900633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).