(2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine

C16H24FN — CID 118371675

IUPAC(2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CN(C)[C@@H](C(C)F)[C@H]1c1ccccc1
InChIInChI=1S/C16H24FN/c1-11(2)14-10-18(4)16(12(3)17)15(14)13-8-6-5-7-9-13/h5-9,11-12,14-16H,10H2,1-4H3/t12?,14-,15-,16-/m0/s1
InChIKeyWCALQCYJUJMPAE-QJIWQAPWSA-N
MW249.37 g/mol
LogP3.71
Rot. Bonds3

About (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine

(2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine (PubChem CID 118371675) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine
PubChem CID118371675
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CN(C)[C@@H](C(C)F)[C@H]1c1ccccc1
InChIInChI=1S/C16H24FN/c1-11(2)14-10-18(4)16(12(3)17)15(14)13-8-6-5-7-9-13/h5-9,11-12,14-16H,10H2,1-4H3/t12?,14-,15-,16-/m0/s1
InChIKeyWCALQCYJUJMPAE-QJIWQAPWSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine?
The IUPAC name of (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine (CID 118371675) is (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine is CC(C)[C@@H]1CN(C)[C@@H](C(C)F)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine?
The InChIKey is WCALQCYJUJMPAE-QJIWQAPWSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)14-10-18(4)16(12(3)17)15(14)13-8-6-5-7-9-13/h5-9,11-12,14-16H,10H2,1-4H3/t12?,14-,15-,16-/m0/s1.
What are the key properties of (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine?
(2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine has a molecular weight of 249.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(1-fluoroethyl)-1-methyl-3-phenyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 118371675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).