(2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine

C24H24FNO2 — CID 141273330

IUPAC(2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine
SMILESCO[C@H]1[C@H](OC)[C@H](c2ccccc2)N(c2ccc(F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H24FNO2/c1-27-23-21(17-9-5-3-6-10-17)26(20-15-13-19(25)14-16-20)22(24(23)28-2)18-11-7-4-8-12-18/h3-16,21-24H,1-2H3/t21-,22-,23+,24+/m0/s1
InChIKeyLRICBEDVYMRXOG-CJRSTVEYSA-N
MW377.46 g/mol
LogP5.16
Rot. Bonds5

About (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine

(2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine (PubChem CID 141273330) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine.

Molecular Properties

Compound Name(2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine
PubChem CID141273330
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name(2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine
SMILESCO[C@H]1[C@H](OC)[C@H](c2ccccc2)N(c2ccc(F)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H24FNO2/c1-27-23-21(17-9-5-3-6-10-17)26(20-15-13-19(25)14-16-20)22(24(23)28-2)18-11-7-4-8-12-18/h3-16,21-24H,1-2H3/t21-,22-,23+,24+/m0/s1
InChIKeyLRICBEDVYMRXOG-CJRSTVEYSA-N
XLogP5.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine?
The IUPAC name of (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine (CID 141273330) is (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine.
What is the SMILES notation for (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine?
The canonical SMILES for (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine is CO[C@H]1[C@H](OC)[C@H](c2ccccc2)N(c2ccc(F)cc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine?
The InChIKey is LRICBEDVYMRXOG-CJRSTVEYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-27-23-21(17-9-5-3-6-10-17)26(20-15-13-19(25)14-16-20)22(24(23)28-2)18-11-7-4-8-12-18/h3-16,21-24H,1-2H3/t21-,22-,23+,24+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine?
(2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine has a molecular weight of 377.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-1-(4-fluorophenyl)-3,4-dimethoxy-2,5-diphenylpyrrolidine is sourced from PubChem (CID 141273330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).