(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride

C24H20FNO2 — CID 11824884

IUPAC(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride
SMILESO=C(F)[C@@H]1CCC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FNO2/c25-23(28)21-16-17-22(27)26(21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKeyOBPAWYHUSSTIEO-NRFANRHFSA-N
MW373.43 g/mol
LogP4.47
Rot. Bonds5

About (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride

(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride (PubChem CID 11824884) has the molecular formula C24H20FNO2 and a molecular weight of 373.43 g/mol. Its IUPAC name is (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride.

Molecular Properties

Compound Name(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride
PubChem CID11824884
Molecular FormulaC24H20FNO2
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Name(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride
SMILESO=C(F)[C@@H]1CCC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FNO2/c25-23(28)21-16-17-22(27)26(21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKeyOBPAWYHUSSTIEO-NRFANRHFSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid
CID 146572104
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
CID 69352190
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 121229069
1-tritylazetidine-3-carboxylic acid
CID 53445406
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
CID 11716839
CID 11716839
(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 66645103
1-tert-butyl-5-oxopyrrolidine-2-carboxamide
CID 76802841
(2R)-5-oxo-1-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 129395627

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride?
The IUPAC name of (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride (CID 11824884) is (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride.
What is the SMILES notation for (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride?
The canonical SMILES for (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride is O=C(F)[C@@H]1CCC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride?
The InChIKey is OBPAWYHUSSTIEO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20FNO2/c25-23(28)21-16-17-22(27)26(21)24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1.
What are the key properties of (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride?
(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride has a molecular weight of 373.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride is sourced from PubChem (CID 11824884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).