ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C15H16FNO4 — CID 142486543

About ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (PubChem CID 142486543) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

Molecular Properties

• Compound Name: ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• PubChem CID: 142486543
• Molecular Formula: C15H16FNO4
• Molecular Weight: 293.29 g/mol
• Exact Mass: 293.11
• IUPAC Name: ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• SMILES: CC.Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OCC3
• InChI: InChI=1S/C13H10FNO4.C2H6/c1-6-9(14)4-7-10-12(6)19-3-2-15(10)5-8(11(7)16)13(17)18;1-2/h4-5H,2-3H2,1H3,(H,17,18);1-2H3
• InChIKey: CUPLOUZNPMQMPO-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 68.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.29
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The IUPAC name of ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (CID 142486543) is ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

What is the SMILES notation for ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The canonical SMILES for ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid is CC.Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1OCC3.

What is the InChIKey of ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

The InChIKey is CUPLOUZNPMQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4.C2H6/c1-6-9(14)4-7-10-12(6)19-3-2-15(10)5-8(11(7)16)13(17)18;1-2/h4-5H,2-3H2,1H3,(H,17,18);1-2H3.

What are the key properties of ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid?

ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;7-fluoro-6-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid is sourced from PubChem (CID 142486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).