2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C18H30FN3O2 — CID 170592509

About 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592509) has the molecular formula C18H30FN3O2 and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

• Compound Name: 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• PubChem CID: 170592509
• Molecular Formula: C18H30FN3O2
• Molecular Weight: 339.46 g/mol
• Exact Mass: 339.23
• IUPAC Name: 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
• SMILES: CCCCC1=NC2(CCN(C(=O)C(C)(C)F)CC2)C(=O)N1C(C)C
• InChI: InChI=1S/C18H30FN3O2/c1-6-7-8-14-20-18(16(24)22(14)13(2)3)9-11-21(12-10-18)15(23)17(4,5)19/h13H,6-12H2,1-5H3
• InChIKey: IFEYBXKOQMCZAV-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 52.98 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.46
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The IUPAC name of 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592509) is 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

What is the SMILES notation for 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The canonical SMILES for 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCN(C(=O)C(C)(C)F)CC2)C(=O)N1C(C)C.

What is the InChIKey of 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

The InChIKey is IFEYBXKOQMCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O2/c1-6-7-8-14-20-18(16(24)22(14)13(2)3)9-11-21(12-10-18)15(23)17(4,5)19/h13H,6-12H2,1-5H3.

What are the key properties of 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?

2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 339.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).