cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate

C23H19F4NO5 — CID 90982854

About cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate

cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate (PubChem CID 90982854) has the molecular formula C23H19F4NO5 and a molecular weight of 465.40 g/mol. Its IUPAC name is cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate.

Molecular Properties

• Compound Name: cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
• PubChem CID: 90982854
• Molecular Formula: C23H19F4NO5
• Molecular Weight: 465.40 g/mol
• Exact Mass: 465.12
• IUPAC Name: cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate
• SMILES: Cc1c(CC(=O)OC2CCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C23H19F4NO5/c1-12-16(10-21(30)32-14-3-2-4-14)17-9-20(29)18(24)11-19(17)28(12)22(31)13-5-7-15(8-6-13)33-23(25,26)27/h5-9,11,14,29H,2-4,10H2,1H3
• InChIKey: FRPRUIPLHMSLFT-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 77.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.40
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate?

The IUPAC name of cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate (CID 90982854) is cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate.

What is the SMILES notation for cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate?

The canonical SMILES for cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate is Cc1c(CC(=O)OC2CCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate?

The InChIKey is FRPRUIPLHMSLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4NO5/c1-12-16(10-21(30)32-14-3-2-4-14)17-9-20(29)18(24)11-19(17)28(12)22(31)13-5-7-15(8-6-13)33-23(25,26)27/h5-9,11,14,29H,2-4,10H2,1H3.

What are the key properties of cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate?

cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate has a molecular weight of 465.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl 2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetate is sourced from PubChem (CID 90982854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).