8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H23F5N2O3 — CID 139975845

About 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 139975845) has the molecular formula C23H23F5N2O3 and a molecular weight of 470.44 g/mol. Its IUPAC name is 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 139975845
• Molecular Formula: C23H23F5N2O3
• Molecular Weight: 470.44 g/mol
• Exact Mass: 470.16
• IUPAC Name: 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: O=C1NCC2(CCN(CCC(Oc3c(F)cccc3F)c3cccc(C(F)(F)F)c3)CC2)O1
• InChI: InChI=1S/C23H23F5N2O3/c24-17-5-2-6-18(25)20(17)32-19(15-3-1-4-16(13-15)23(26,27)28)7-10-30-11-8-22(9-12-30)14-29-21(31)33-22/h1-6,13,19H,7-12,14H2,(H,29,31)
• InChIKey: DNZJUZVLMMGOLL-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.44
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 139975845) is 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCC(Oc3c(F)cccc3F)c3cccc(C(F)(F)F)c3)CC2)O1.

What is the InChIKey of 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is DNZJUZVLMMGOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N2O3/c24-17-5-2-6-18(25)20(17)32-19(15-3-1-4-16(13-15)23(26,27)28)7-10-30-11-8-22(9-12-30)14-29-21(31)33-22/h1-6,13,19H,7-12,14H2,(H,29,31).

What are the key properties of 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 470.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 139975845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).