(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine

C11H14FN — CID 124509740

IUPAC(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
SMILESC[C@@H]1CC[C@@H](c2ccc(F)cc2)N1
InChIInChI=1S/C11H14FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11,13H,2,7H2,1H3/t8-,11+/m1/s1
InChIKeyXNIGAIJJLSEEEL-KCJUWKMLSA-N
MW179.24 g/mol
LogP2.64
Rot. Bonds1

About (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine

(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine (PubChem CID 124509740) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
PubChem CID124509740
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
SMILESC[C@@H]1CC[C@@H](c2ccc(F)cc2)N1
InChIInChI=1S/C11H14FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11,13H,2,7H2,1H3/t8-,11+/m1/s1
InChIKeyXNIGAIJJLSEEEL-KCJUWKMLSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543
(2S,5S)-2-ethyl-5-(4-fluorophenyl)pyrrolidine
CID 146633643
2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
CID 146633764
2-[3-(4-fluoro-2-methylphenyl)phenyl]-5-methylpyrrolidine
CID 123990449
2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine
CID 144649311
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091
5-fluoro-4-[4-[4-[5-fluoro-2-(5-methylpyrrolidin-2-yl)-1H-imidazol-4-yl]phenyl]phenyl]-2-(5-methylpyrrolidin-2-yl)-1H-imidazole
CID 75991860
2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole
CID 58697819

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine?
The IUPAC name of (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine (CID 124509740) is (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine.
What is the SMILES notation for (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine?
The canonical SMILES for (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine is C[C@@H]1CC[C@@H](c2ccc(F)cc2)N1.
What is the InChIKey of (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine?
The InChIKey is XNIGAIJJLSEEEL-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11,13H,2,7H2,1H3/t8-,11+/m1/s1.
What are the key properties of (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine?
(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine is sourced from PubChem (CID 124509740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).