tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate

C20H26FNO4 — CID 146165538

IUPACtert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)c1ccc(C=C(F)C2CCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H26FNO4/c1-5-25-18(23)15-10-8-14(9-11-15)13-16(21)17-7-6-12-22(17)19(24)26-20(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3
InChIKeyDBHBTAMIPZEEOZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.57
Rot. Bonds4

About tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate (PubChem CID 146165538) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate
PubChem CID146165538
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Nametert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)c1ccc(C=C(F)C2CCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H26FNO4/c1-5-25-18(23)15-10-8-14(9-11-15)13-16(21)17-7-6-12-22(17)19(24)26-20(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3
InChIKeyDBHBTAMIPZEEOZ-UHFFFAOYSA-N
XLogP4.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate 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

tert-butyl 2-[(4-ethoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110426719
tert-butyl 2-[(Z)-2-(4-cyanophenyl)-1-fluoroethenyl]piperidine-1-carboxylate
CID 138979314
tert-butyl 2-(3-ethoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 74889513
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
tert-butyl (2S)-2-(N-(3-chloro-4-fluorophenyl)-4-ethoxycarbonylanilino)pyrrolidine-1-carboxylate
CID 69180646
tert-butyl (2S)-2-[5-[4-(4-ethoxycarbonylphenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 59450064
ethyl 4-(4-ethoxycarbonylphenyl)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazole-5-carboxylate
CID 155307667
4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxoethyl]benzoic acid
CID 58384782
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S)-2-(3-ethylbenzoyl)pyrrolidine-1-carboxylate
CID 58580939
tert-butyl (2R)-2-[(4-methoxycarbonylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 98990393

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate (CID 146165538) is tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate is CCOC(=O)c1ccc(C=C(F)C2CCCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate?
The InChIKey is DBHBTAMIPZEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO4/c1-5-25-18(23)15-10-8-14(9-11-15)13-16(21)17-7-6-12-22(17)19(24)26-20(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate has a molecular weight of 363.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(4-ethoxycarbonylphenyl)-1-fluoroethenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 146165538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).