2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine

C13H18FN — CID 84779760

IUPAC2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(F)cc(C2CCCN2)c1
InChIInChI=1S/C13H18FN/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h6-9,13,15H,3-5H2,1-2H3
InChIKeyAOUDWFHEWUKPBF-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.37
Rot. Bonds2

About 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine

2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 84779760) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
PubChem CID84779760
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(F)cc(C2CCCN2)c1
InChIInChI=1S/C13H18FN/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h6-9,13,15H,3-5H2,1-2H3
InChIKeyAOUDWFHEWUKPBF-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine
CID 84808315
3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
CID 130614762
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
CID 66518446
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
3-fluoro-5-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 162344515
2-[3,4,5-tris(methylsulfanyl)phenyl]pyrrolidine
CID 117460049
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine (CID 84779760) is 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine is CC(C)c1cc(F)cc(C2CCCN2)c1.
What is the InChIKey of 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is AOUDWFHEWUKPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h6-9,13,15H,3-5H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine?
2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 84779760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).