(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone

C20H24F3NO3 — CID 164710347

About (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164710347) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 164710347
• Molecular Formula: C20H24F3NO3
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.17
• IUPAC Name: (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: CC1(O)CC(C(=O)N2CC3(CC[C@H](c4ccc(OC(F)(F)F)cc4)C3)C2)C1
• InChI: InChI=1S/C20H24F3NO3/c1-18(26)8-15(9-18)17(25)24-11-19(12-24)7-6-14(10-19)13-2-4-16(5-3-13)27-20(21,22)23/h2-5,14-15,26H,6-12H2,1H3/t14-,15?,18?/m0/s1
• InChIKey: SFYXHBIVLQPPQC-SYJJWHGVSA-N
• XLogP: 3.84
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone (CID 164710347) is (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone is CC1(O)CC(C(=O)N2CC3(CC[C@H](c4ccc(OC(F)(F)F)cc4)C3)C2)C1.

What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is SFYXHBIVLQPPQC-SYJJWHGVSA-N. The full InChI is InChI=1S/C20H24F3NO3/c1-18(26)8-15(9-18)17(25)24-11-19(12-24)7-6-14(10-19)13-2-4-16(5-3-13)27-20(21,22)23/h2-5,14-15,26H,6-12H2,1H3/t14-,15?,18?/m0/s1.

What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone?

(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 383.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164710347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).