tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate

C15H19F2NO2 — CID 118337502

IUPACtert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-8-4-5-13(18)11-7-6-10(16)9-12(11)17/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyGVXYQQZHNMKSEE-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate (PubChem CID 118337502) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
PubChem CID118337502
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-8-4-5-13(18)11-7-6-10(16)9-12(11)17/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyGVXYQQZHNMKSEE-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2-(2,4-difluorophenyl)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-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate
CID 53419955
tert-butyl (2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine-1-carboxylate
CID 124634924
tert-butyl 2-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724028
tert-butyl (2R)-2-[2-fluoro-4-(pyridine-2-carbonylamino)phenyl]pyrrolidine-1-carboxylate
CID 102410009
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
tert-butyl (2S)-2-[2-(3-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 90685358
tert-butyl 4-amino-2-(2-chloro-4-fluorophenyl)piperidine-1-carboxylate
CID 165457824
tert-butyl 4-amino-2-(2-bromo-4-fluorophenyl)piperidine-1-carboxylate
CID 165451030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate (CID 118337502) is tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1ccc(F)cc1F.
What is the InChIKey of tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate?
The InChIKey is GVXYQQZHNMKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(2,3)20-14(19)18-8-4-5-13(18)11-7-6-10(16)9-12(11)17/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 118337502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).