3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine

C12H16FN — CID 84772856

IUPAC3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
SMILESCc1cc(C2CCNC2)c(C)cc1F
InChIInChI=1S/C12H16FN/c1-8-6-12(13)9(2)5-11(8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyMNBKLXLORZSUKV-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.52
Rot. Bonds1

About 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine

3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine (PubChem CID 84772856) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
PubChem CID84772856
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
SMILESCc1cc(C2CCNC2)c(C)cc1F
InChIInChI=1S/C12H16FN/c1-8-6-12(13)9(2)5-11(8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyMNBKLXLORZSUKV-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

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Related Compounds

3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855
3-(2,5-difluoro-4-methylphenyl)azetidine
CID 164663758
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine (CID 84772856) is 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine is Cc1cc(C2CCNC2)c(C)cc1F.
What is the InChIKey of 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine?
The InChIKey is MNBKLXLORZSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-6-12(13)9(2)5-11(8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine?
3-(4-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-(4-fluoro-2,5-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 84772856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).