2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine

C13H18FN — CID 84722501

IUPAC2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
SMILESCc1cccc(C(C)(F)C2CCCN2)c1
InChIInChI=1S/C13H18FN/c1-10-5-3-6-11(9-10)13(2,14)12-7-4-8-15-12/h3,5-6,9,12,15H,4,7-8H2,1-2H3
InChIKeyBAHZVEBAFFULOQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.93
Rot. Bonds2

About 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine

2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine (PubChem CID 84722501) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
PubChem CID84722501
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
SMILESCc1cccc(C(C)(F)C2CCCN2)c1
InChIInChI=1S/C13H18FN/c1-10-5-3-6-11(9-10)13(2,14)12-7-4-8-15-12/h3,5-6,9,12,15H,4,7-8H2,1-2H3
InChIKeyBAHZVEBAFFULOQ-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
CID 84730136
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
CID 59628696
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
4-methylpiperidine;1-methyl-3-(trifluoromethyl)benzene
CID 174852031
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-(1-cyclopentyl-1-fluoroethyl)aniline
CID 115025375
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382
(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]-methoxy-[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 88534529

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine (CID 84722501) is 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine is Cc1cccc(C(C)(F)C2CCCN2)c1.
What is the InChIKey of 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine?
The InChIKey is BAHZVEBAFFULOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-5-3-6-11(9-10)13(2,14)12-7-4-8-15-12/h3,5-6,9,12,15H,4,7-8H2,1-2H3.
What are the key properties of 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine?
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 84722501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).