3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine

C12H16FN — CID 84772859

IUPAC3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
SMILESCc1ccc(C)c(C2CCNC2)c1F
InChIInChI=1S/C12H16FN/c1-8-3-4-9(2)12(13)11(8)10-5-6-14-7-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyMDNZMLUXVXHOOD-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.52
Rot. Bonds1

About 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine

3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine (PubChem CID 84772859) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
PubChem CID84772859
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
SMILESCc1ccc(C)c(C2CCNC2)c1F
InChIInChI=1S/C12H16FN/c1-8-3-4-9(2)12(13)11(8)10-5-6-14-7-10/h3-4,10,14H,5-7H2,1-2H3
InChIKeyMDNZMLUXVXHOOD-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 ≤ 500193.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-fluoro-3,6-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

(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
CID 117372004
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine (CID 84772859) is 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine is Cc1ccc(C)c(C2CCNC2)c1F.
What is the InChIKey of 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine?
The InChIKey is MDNZMLUXVXHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-3-4-9(2)12(13)11(8)10-5-6-14-7-10/h3-4,10,14H,5-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine?
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine has a molecular weight of 193.27 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-(2-fluoro-3,6-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 84772859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).