tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate

C16H20FNO2 — CID 101437315

IUPACtert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate
SMILESC=C1C[C@H](c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H20FNO2/c1-11-9-14(12-5-7-13(17)8-6-12)18(10-11)15(19)20-16(2,3)4/h5-8,14H,1,9-10H2,2-4H3/t14-/m1/s1
InChIKeyWCEBDUUNPJNKJD-CQSZACIVSA-N
MW277.34 g/mol
LogP4.06
Rot. Bonds1

About tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate

tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate (PubChem CID 101437315) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate
PubChem CID101437315
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Nametert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate
SMILESC=C1C[C@H](c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H20FNO2/c1-11-9-14(12-5-7-13(17)8-6-12)18(10-11)15(19)20-16(2,3)4/h5-8,14H,1,9-10H2,2-4H3/t14-/m1/s1
InChIKeyWCEBDUUNPJNKJD-CQSZACIVSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-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

Encyprate
CID 17298
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 20895670
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
Ethyl-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-carbamic acid methyl ester
CID 44404542
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
2,2-Dimethyl-1-[2-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 121446384
Tert-butyl 11-azatricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-11-carboxylate
CID 12589047
ethyl N-benzhydryl-N-methylcarbamate
CID 10778396
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 20895669

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate (CID 101437315) is tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate is C=C1C[C@H](c2ccc(F)cc2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate?
The InChIKey is WCEBDUUNPJNKJD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11-9-14(12-5-7-13(17)8-6-12)18(10-11)15(19)20-16(2,3)4/h5-8,14H,1,9-10H2,2-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate has a molecular weight of 277.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(4-fluorophenyl)-4-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 101437315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).