ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate

C21H21F2NO2 — CID 57075358

IUPACethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C=C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C21H21F2NO2/c1-2-26-21(25)24-12-11-15(14-24)13-20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,13,15H,2,11-12,14H2,1H3
InChIKeyYRCKRBIEBWMZFW-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.87
Rot. Bonds4

About ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate

ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate (PubChem CID 57075358) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
PubChem CID57075358
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Nameethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C=C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C21H21F2NO2/c1-2-26-21(25)24-12-11-15(14-24)13-20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,13,15H,2,11-12,14H2,1H3
InChIKeyYRCKRBIEBWMZFW-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate (CID 57075358) is ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(C=C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate?
The InChIKey is YRCKRBIEBWMZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c1-2-26-21(25)24-12-11-15(14-24)13-20(16-3-7-18(22)8-4-16)17-5-9-19(23)10-6-17/h3-10,13,15H,2,11-12,14H2,1H3.
What are the key properties of ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate?
ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate has a molecular weight of 357.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57075358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).