(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine

C19H20FN — CID 54349337

IUPAC(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1C=Cc1cccc(F)c1
InChIInChI=1S/C19H20FN/c1-21-13-12-18(16-7-3-2-4-8-16)19(21)11-10-15-6-5-9-17(20)14-15/h2-11,14,18-19H,12-13H2,1H3/t18-,19-/m1/s1
InChIKeyUEPISPKPHNXAKR-RTBURBONSA-N
MW281.37 g/mol
LogP4.33
Rot. Bonds3

About (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine

(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (PubChem CID 54349337) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
PubChem CID54349337
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC Name(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1C=Cc1cccc(F)c1
InChIInChI=1S/C19H20FN/c1-21-13-12-18(16-7-3-2-4-8-16)19(21)11-10-15-6-5-9-17(20)14-15/h2-11,14,18-19H,12-13H2,1H3/t18-,19-/m1/s1
InChIKeyUEPISPKPHNXAKR-RTBURBONSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The IUPAC name of (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (CID 54349337) is (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The canonical SMILES for (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is CN1CC[C@H](c2ccccc2)[C@H]1C=Cc1cccc(F)c1.
What is the InChIKey of (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The InChIKey is UEPISPKPHNXAKR-RTBURBONSA-N. The full InChI is InChI=1S/C19H20FN/c1-21-13-12-18(16-7-3-2-4-8-16)19(21)11-10-15-6-5-9-17(20)14-15/h2-11,14,18-19H,12-13H2,1H3/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
(2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine has a molecular weight of 281.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[2-(3-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 54349337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).