2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid

C17H19F2NO6 — CID 66842306

About 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid (PubChem CID 66842306) has the molecular formula C17H19F2NO6 and a molecular weight of 371.34 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid.

Molecular Properties

• Compound Name: 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid
• PubChem CID: 66842306
• Molecular Formula: C17H19F2NO6
• Molecular Weight: 371.34 g/mol
• Exact Mass: 371.12
• IUPAC Name: 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid
• SMILES: CCC(Oc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F)C(=O)O
• InChI: InChI=1S/C17H19F2NO6/c1-2-12(15(21)22)24-14-7-10(3-4-13(14)25-16(18)19)11-8-17(26-20-11)5-6-23-9-17/h3-4,7,12,16H,2,5-6,8-9H2,1H3,(H,21,22)
• InChIKey: OJGPHKAOWJUCRK-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 86.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.34
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid?

The IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid (CID 66842306) is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid.

What is the SMILES notation for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid?

The canonical SMILES for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid is CCC(Oc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F)C(=O)O.

What is the InChIKey of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid?

The InChIKey is OJGPHKAOWJUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO6/c1-2-12(15(21)22)24-14-7-10(3-4-13(14)25-16(18)19)11-8-17(26-20-11)5-6-23-9-17/h3-4,7,12,16H,2,5-6,8-9H2,1H3,(H,21,22).

What are the key properties of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid?

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid has a molecular weight of 371.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid is sourced from PubChem (CID 66842306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).