2-(2-ethyl-6-fluorophenyl)pyrrolidine

C12H16FN — CID 55295804

IUPAC2-(2-ethyl-6-fluorophenyl)pyrrolidine
SMILESCCc1cccc(F)c1C1CCCN1
InChIInChI=1S/C12H16FN/c1-2-9-5-3-6-10(13)12(9)11-7-4-8-14-11/h3,5-6,11,14H,2,4,7-8H2,1H3
InChIKeyAOCTUNUOVTULEN-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-ethyl-6-fluorophenyl)pyrrolidine

2-(2-ethyl-6-fluorophenyl)pyrrolidine (PubChem CID 55295804) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-ethyl-6-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-ethyl-6-fluorophenyl)pyrrolidine
PubChem CID55295804
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-(2-ethyl-6-fluorophenyl)pyrrolidine
SMILESCCc1cccc(F)c1C1CCCN1
InChIInChI=1S/C12H16FN/c1-2-9-5-3-6-10(13)12(9)11-7-4-8-14-11/h3,5-6,11,14H,2,4,7-8H2,1H3
InChIKeyAOCTUNUOVTULEN-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(2-ethyl-6-fluorophenyl)pyrrolidine (CID 55295804) is 2-(2-ethyl-6-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(2-ethyl-6-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(2-ethyl-6-fluorophenyl)pyrrolidine is CCc1cccc(F)c1C1CCCN1.
What is the InChIKey of 2-(2-ethyl-6-fluorophenyl)pyrrolidine?
The InChIKey is AOCTUNUOVTULEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-9-5-3-6-10(13)12(9)11-7-4-8-14-11/h3,5-6,11,14H,2,4,7-8H2,1H3.
What are the key properties of 2-(2-ethyl-6-fluorophenyl)pyrrolidine?
2-(2-ethyl-6-fluorophenyl)pyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-fluorophenyl)pyrrolidine is sourced from PubChem (CID 55295804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).