3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine

C12H16FN — CID 84772855

IUPAC3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
SMILESCc1cc(F)c(C)c(C2CCNC2)c1
InChIInChI=1S/C12H16FN/c1-8-5-11(9(2)12(13)6-8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyDFMGHNVNWULNDT-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.52
Rot. Bonds1

About 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine

3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine (PubChem CID 84772855) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
PubChem CID84772855
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
SMILESCc1cc(F)c(C)c(C2CCNC2)c1
InChIInChI=1S/C12H16FN/c1-8-5-11(9(2)12(13)6-8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyDFMGHNVNWULNDT-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-fluoro-2,5-dimethylphenyl)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

3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
(3S)-3-(2-iodo-5-methylphenyl)pyrrolidine
CID 130664930
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine
CID 138636032
3-(5-ethyl-2,3-dimethylphenyl)pyrrolidine
CID 117292117
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine;hydrochloride
CID 138636031

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine (CID 84772855) is 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine is Cc1cc(F)c(C)c(C2CCNC2)c1.
What is the InChIKey of 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine?
The InChIKey is DFMGHNVNWULNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-11(9(2)12(13)6-8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine?
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine has a molecular weight of 193.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 84772855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).