ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate

C17H15F2NO5 — CID 58134861

IUPACethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OCC21CCOC1
InChIInChI=1S/C17H15F2NO5/c1-2-24-16(22)10-6-20-13-9(14(10)21)5-11(18)12(19)15(13)25-8-17(20)3-4-23-7-17/h5-6H,2-4,7-8H2,1H3
InChIKeyAFQZGPWOPZVNKX-UHFFFAOYSA-N
MW351.31 g/mol
LogP1.96
Rot. Bonds2

About ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate

ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate (PubChem CID 58134861) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate
PubChem CID58134861
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Nameethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate
SMILESCCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OCC21CCOC1
InChIInChI=1S/C17H15F2NO5/c1-2-24-16(22)10-6-20-13-9(14(10)21)5-11(18)12(19)15(13)25-8-17(20)3-4-23-7-17/h5-6H,2-4,7-8H2,1H3
InChIKeyAFQZGPWOPZVNKX-UHFFFAOYSA-N
XLogP1.96
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-fluoro-10-oxo-6-[1-(phenylmethoxycarbonylamino)cyclopropyl]spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carboxylate
CID 10074388
ethyl 2-(chloromethyl)-6,7-difluoro-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
CID 13309009
ethyl 6,7-difluoro-8-nitro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-2,1'-cyclobutane]-11-carboxylate
CID 58134645
ethyl 6,7,8-trifluoro-1-(methylcarbamoyl)-4-oxoquinoline-3-carboxylate
CID 141456927
ethyl 6,7,8-trifluoro-1-[hydroxymethyl(methyl)amino]-4-oxoquinoline-3-carboxylate
CID 11067470
ethyl 6,7-difluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114932
ethyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114933
ethyl 1-but-3-en-2-yl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 15717523
ethyl 1-acetamido-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 141213468
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
ethyl 7,8-difluoro-4-oxo-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14),11-pentaene-3-carboxylate
CID 169153087
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate?
The IUPAC name of ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate (CID 58134861) is ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate.
What is the SMILES notation for ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate?
The canonical SMILES for ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate is CCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OCC21CCOC1.
What is the InChIKey of ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate?
The InChIKey is AFQZGPWOPZVNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-2-24-16(22)10-6-20-13-9(14(10)21)5-11(18)12(19)15(13)25-8-17(20)3-4-23-7-17/h5-6H,2-4,7-8H2,1H3.
What are the key properties of ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate?
ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate has a molecular weight of 351.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate is sourced from PubChem (CID 58134861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).