2-(3-fluorophenyl)-1-methylpyrrolidine

C11H14FN — CID 12654275

IUPAC2-(3-fluorophenyl)-1-methylpyrrolidine
SMILESCN1CCCC1c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyKMMXYNMBHZUXKZ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.59
Rot. Bonds1

About 2-(3-fluorophenyl)-1-methylpyrrolidine

2-(3-fluorophenyl)-1-methylpyrrolidine (PubChem CID 12654275) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-methylpyrrolidine
PubChem CID12654275
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-(3-fluorophenyl)-1-methylpyrrolidine
SMILESCN1CCCC1c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2,4-5,8,11H,3,6-7H2,1H3
InChIKeyKMMXYNMBHZUXKZ-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-methylpyrrolidine?
The IUPAC name of 2-(3-fluorophenyl)-1-methylpyrrolidine (CID 12654275) is 2-(3-fluorophenyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(3-fluorophenyl)-1-methylpyrrolidine is CN1CCCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-methylpyrrolidine?
The InChIKey is KMMXYNMBHZUXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2,4-5,8,11H,3,6-7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-methylpyrrolidine?
2-(3-fluorophenyl)-1-methylpyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-methylpyrrolidine is sourced from PubChem (CID 12654275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).