(3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C20H24F3NO3 — CID 164709998

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CC(Cc4cccc(OC(F)(F)F)c4)C3)C2)C1
InChIInChI=1S/C20H24F3NO3/c1-18(26)9-15(10-18)17(25)24-11-19(12-24)7-14(8-19)5-13-3-2-4-16(6-13)27-20(21,22)23/h2-4,6,14-15,26H,5,7-12H2,1H3
InChIKeyLRYBVUJARPFVPS-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.53
Rot. Bonds4

About (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164709998) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164709998
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC1(O)CC(C(=O)N2CC3(CC(Cc4cccc(OC(F)(F)F)c4)C3)C2)C1
InChIInChI=1S/C20H24F3NO3/c1-18(26)9-15(10-18)17(25)24-11-19(12-24)7-14(8-19)5-13-3-2-4-16(6-13)27-20(21,22)23/h2-4,6,14-15,26H,5,7-12H2,1H3
InChIKeyLRYBVUJARPFVPS-UHFFFAOYSA-N
XLogP3.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164709998) is (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is CC1(O)CC(C(=O)N2CC3(CC(Cc4cccc(OC(F)(F)F)c4)C3)C2)C1.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is LRYBVUJARPFVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO3/c1-18(26)9-15(10-18)17(25)24-11-19(12-24)7-14(8-19)5-13-3-2-4-16(6-13)27-20(21,22)23/h2-4,6,14-15,26H,5,7-12H2,1H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 383.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-[[3-(trifluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164709998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).