ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate

C16H18FNO3 — CID 14281499

IUPACethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate
SMILESC=C1c2cc(F)ccc2OC12CCN(C(=O)OCC)CC2
InChIInChI=1S/C16H18FNO3/c1-3-20-15(19)18-8-6-16(7-9-18)11(2)13-10-12(17)4-5-14(13)21-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyREJHXBQOGZPNIP-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.22
Rot. Bonds1

About ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate

ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate (PubChem CID 14281499) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate
PubChem CID14281499
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Nameethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate
SMILESC=C1c2cc(F)ccc2OC12CCN(C(=O)OCC)CC2
InChIInChI=1S/C16H18FNO3/c1-3-20-15(19)18-8-6-16(7-9-18)11(2)13-10-12(17)4-5-14(13)21-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyREJHXBQOGZPNIP-UHFFFAOYSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate (CID 14281499) is ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate is C=C1c2cc(F)ccc2OC12CCN(C(=O)OCC)CC2.
What is the InChIKey of ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate?
The InChIKey is REJHXBQOGZPNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-20-15(19)18-8-6-16(7-9-18)11(2)13-10-12(17)4-5-14(13)21-16/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate?
ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate has a molecular weight of 291.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 14281499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).