1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid

C24H27F7N2O5 — CID 134536368

About 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid

1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid (PubChem CID 134536368) has the molecular formula C24H27F7N2O5 and a molecular weight of 556.48 g/mol. Its IUPAC name is 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
• PubChem CID: 134536368
• Molecular Formula: C24H27F7N2O5
• Molecular Weight: 556.48 g/mol
• Exact Mass: 556.18
• IUPAC Name: 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
• SMILES: O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CCCN2Cc2cccc(F)c2OCC2(C(=O)O)CC2)CC1
• InChI: InChI=1S/C24H27F7N2O5/c25-16-4-1-3-15(17(16)37-14-21(6-7-21)19(34)35)13-33-10-2-5-22(33)8-11-32(12-9-22)20(36)38-18(23(26,27)28)24(29,30)31/h1,3-4,18H,2,5-14H2,(H,34,35)
• InChIKey: FPNYMRPTAJMSCZ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.48
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid (CID 134536368) is 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CCCN2Cc2cccc(F)c2OCC2(C(=O)O)CC2)CC1.

What is the InChIKey of 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid?

The InChIKey is FPNYMRPTAJMSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F7N2O5/c25-16-4-1-3-15(17(16)37-14-21(6-7-21)19(34)35)13-33-10-2-5-22(33)8-11-32(12-9-22)20(36)38-18(23(26,27)28)24(29,30)31/h1,3-4,18H,2,5-14H2,(H,34,35).

What are the key properties of 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid?

1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 556.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-fluoro-6-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 134536368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).