2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine

C14H20FN — CID 117316899

IUPAC2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
SMILESCC(F)Cc1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C14H20FN/c1-11(15)9-12-5-3-6-13(10-12)14(2)7-4-8-16-14/h3,5-6,10-11,16H,4,7-9H2,1-2H3
InChIKeyBBUWXEFXPARYBG-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.19
Rot. Bonds3

About 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine

2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine (PubChem CID 117316899) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
PubChem CID117316899
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
SMILESCC(F)Cc1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C14H20FN/c1-11(15)9-12-5-3-6-13(10-12)14(2)7-4-8-16-14/h3,5-6,10-11,16H,4,7-9H2,1-2H3
InChIKeyBBUWXEFXPARYBG-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine (CID 117316899) is 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine is CC(F)Cc1cccc(C2(C)CCCN2)c1.
What is the InChIKey of 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine?
The InChIKey is BBUWXEFXPARYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11(15)9-12-5-3-6-13(10-12)14(2)7-4-8-16-14/h3,5-6,10-11,16H,4,7-9H2,1-2H3.
What are the key properties of 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine?
2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117316899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).