(2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine

C16H22FN — CID 171058365

IUPAC(2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine
SMILESCC(C)(C)N1CCC[C@@H]1/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H22FN/c1-16(2,3)18-12-4-5-15(18)11-8-13-6-9-14(17)10-7-13/h6-11,15H,4-5,12H2,1-3H3/b11-8+/t15-/m1/s1
InChIKeyIVQIMMPTBOUCJN-KUCQQTCKSA-N
MW247.36 g/mol
LogP4.10
Rot. Bonds2

About (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine

(2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine (PubChem CID 171058365) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine
PubChem CID171058365
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name(2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine
SMILESCC(C)(C)N1CCC[C@@H]1/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H22FN/c1-16(2,3)18-12-4-5-15(18)11-8-13-6-9-14(17)10-7-13/h6-11,15H,4-5,12H2,1-3H3/b11-8+/t15-/m1/s1
InChIKeyIVQIMMPTBOUCJN-KUCQQTCKSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine?
The IUPAC name of (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine (CID 171058365) is (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine.
What is the SMILES notation for (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine?
The canonical SMILES for (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine is CC(C)(C)N1CCC[C@@H]1/C=C/c1ccc(F)cc1.
What is the InChIKey of (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine?
The InChIKey is IVQIMMPTBOUCJN-KUCQQTCKSA-N. The full InChI is InChI=1S/C16H22FN/c1-16(2,3)18-12-4-5-15(18)11-8-13-6-9-14(17)10-7-13/h6-11,15H,4-5,12H2,1-3H3/b11-8+/t15-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine?
(2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine has a molecular weight of 247.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 171058365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).