tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate

C16H20FNO3 — CID 129284014

IUPACtert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(Cc3ccc(F)cc3O2)C1
InChIInChI=1S/C16H20FNO3/c1-15(2,3)21-14(19)18-7-6-16(10-18)9-11-4-5-12(17)8-13(11)20-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyVGIRJCOYWWKCPN-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.14
Rot. Bonds

About tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate

tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate (PubChem CID 129284014) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate
PubChem CID129284014
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(Cc3ccc(F)cc3O2)C1
InChIInChI=1S/C16H20FNO3/c1-15(2,3)21-14(19)18-7-6-16(10-18)9-11-4-5-12(17)8-13(11)20-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyVGIRJCOYWWKCPN-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-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 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 67122794
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
tert-butyl 6-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 121207045
tert-butyl 7-fluorospiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
CID 66570818
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
tert-butyl 7-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 71081518
tert-butyl 4-[(2,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 163385640
tert-butyl (2R)-6-nitro-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-carboxylate
CID 125451783
3,3-difluoro-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-chromene-2,4'-piperidine]-6,7-dicarboxylic acid
CID 169103730
ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate
CID 165483559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate (CID 129284014) is tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(Cc3ccc(F)cc3O2)C1.
What is the InChIKey of tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is VGIRJCOYWWKCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-15(2,3)21-14(19)18-7-6-16(10-18)9-11-4-5-12(17)8-13(11)20-16/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate?
tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 129284014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).