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

C19H20FN — CID 18632075

IUPAC(2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1ccccc1F
InChIInChI=1S/C19H20FN/c1-21-14-13-17(15-7-3-2-4-8-15)19(21)12-11-16-9-5-6-10-18(16)20/h2-12,17,19H,13-14H2,1H3/b12-11+/t17-,19-/m1/s1
InChIKeyXSBJTEBEVRVQAQ-FEFOKTNTSA-N
MW281.37 g/mol
LogP4.33
Rot. Bonds3

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

(2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (PubChem CID 18632075) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
PubChem CID18632075
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC Name(2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
SMILESCN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1ccccc1F
InChIInChI=1S/C19H20FN/c1-21-14-13-17(15-7-3-2-4-8-15)19(21)12-11-16-9-5-6-10-18(16)20/h2-12,17,19H,13-14H2,1H3/b12-11+/t17-,19-/m1/s1
InChIKeyXSBJTEBEVRVQAQ-FEFOKTNTSA-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-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The IUPAC name of (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine (CID 18632075) is (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The canonical SMILES for (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is CN1CC[C@H](c2ccccc2)[C@H]1/C=C/c1ccccc1F.
What is the InChIKey of (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
The InChIKey is XSBJTEBEVRVQAQ-FEFOKTNTSA-N. The full InChI is InChI=1S/C19H20FN/c1-21-14-13-17(15-7-3-2-4-8-15)19(21)12-11-16-9-5-6-10-18(16)20/h2-12,17,19H,13-14H2,1H3/b12-11+/t17-,19-/m1/s1.
What are the key properties of (2R,3R)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine?
(2R,3R)-2-[(E)-2-(2-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-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 18632075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).