1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione

C28H20F3NO3 — CID 139082280

IUPAC—
SMILESCN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C28H20F3NO3/c1-32-15-22(16-10-12-18(13-11-16)28(29,30)31)26(14-17-6-2-3-7-19(17)23(26)33)27(32)24(34)20-8-4-5-9-21(20)25(27)35/h2-13,22H,14-15H2,1H3/t22-,26+/m1/s1
InChIKeyTZTYTUGQWBZLIA-GJZUVCINSA-N
MW475.47 g/mol
LogP4.98
Rot. Bonds1

About 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione

1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione (PubChem CID 139082280) has the molecular formula C28H20F3NO3 and a molecular weight of 475.47 g/mol.

Molecular Properties

Compound Name1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione
PubChem CID139082280
Molecular FormulaC28H20F3NO3
Molecular Weight475.47 g/mol
Exact Mass475.14
IUPAC Name—
SMILESCN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C28H20F3NO3/c1-32-15-22(16-10-12-18(13-11-16)28(29,30)31)26(14-17-6-2-3-7-19(17)23(26)33)27(32)24(34)20-8-4-5-9-21(20)25(27)35/h2-13,22H,14-15H2,1H3/t22-,26+/m1/s1
InChIKeyTZTYTUGQWBZLIA-GJZUVCINSA-N
XLogP4.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione?
The IUPAC name of 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione (CID 139082280) is not available.
What is the SMILES notation for 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione?
The canonical SMILES for 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione is CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O.
What is the InChIKey of 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione?
The InChIKey is TZTYTUGQWBZLIA-GJZUVCINSA-N. The full InChI is InChI=1S/C28H20F3NO3/c1-32-15-22(16-10-12-18(13-11-16)28(29,30)31)26(14-17-6-2-3-7-19(17)23(26)33)27(32)24(34)20-8-4-5-9-21(20)25(27)35/h2-13,22H,14-15H2,1H3/t22-,26+/m1/s1.
What are the key properties of 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione?
1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione has a molecular weight of 475.47 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione is sourced from PubChem (CID 139082280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).