3-fluoro-2-(2-methylphenyl)pyrrolidine

C11H14FN — CID 84718150

IUPAC3-fluoro-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1C1NCCC1F
InChIInChI=1S/C11H14FN/c1-8-4-2-3-5-9(8)11-10(12)6-7-13-11/h2-5,10-11,13H,6-7H2,1H3
InChIKeyVTADVTSVBSYICP-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.37
Rot. Bonds1

About 3-fluoro-2-(2-methylphenyl)pyrrolidine

3-fluoro-2-(2-methylphenyl)pyrrolidine (PubChem CID 84718150) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-fluoro-2-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-2-(2-methylphenyl)pyrrolidine
PubChem CID84718150
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-fluoro-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1C1NCCC1F
InChIInChI=1S/C11H14FN/c1-8-4-2-3-5-9(8)11-10(12)6-7-13-11/h2-5,10-11,13H,6-7H2,1H3
InChIKeyVTADVTSVBSYICP-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methylphenyl)pyrrolidine?
The IUPAC name of 3-fluoro-2-(2-methylphenyl)pyrrolidine (CID 84718150) is 3-fluoro-2-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-2-(2-methylphenyl)pyrrolidine?
The canonical SMILES for 3-fluoro-2-(2-methylphenyl)pyrrolidine is Cc1ccccc1C1NCCC1F.
What is the InChIKey of 3-fluoro-2-(2-methylphenyl)pyrrolidine?
The InChIKey is VTADVTSVBSYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-4-2-3-5-9(8)11-10(12)6-7-13-11/h2-5,10-11,13H,6-7H2,1H3.
What are the key properties of 3-fluoro-2-(2-methylphenyl)pyrrolidine?
3-fluoro-2-(2-methylphenyl)pyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 84718150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).