5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

C22H26F3NO3 — CID 123160075

IUPAC5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1
InChIInChI=1S/C22H26F3NO3/c1-21(2,3)19(28)16-17(13-7-5-4-6-8-13)26(20(29)18(16)27)15-11-9-14(10-12-15)22(23,24)25/h9-13,16-17H,4-8H2,1-3H3
InChIKeyVHWMYRYPNVWNGL-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.80
Rot. Bonds3

About 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 123160075) has the molecular formula C22H26F3NO3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
PubChem CID123160075
Molecular FormulaC22H26F3NO3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESCC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1
InChIInChI=1S/C22H26F3NO3/c1-21(2,3)19(28)16-17(13-7-5-4-6-8-13)26(20(29)18(16)27)15-11-9-14(10-12-15)22(23,24)25/h9-13,16-17H,4-8H2,1-3H3
InChIKeyVHWMYRYPNVWNGL-UHFFFAOYSA-N
XLogP4.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (CID 123160075) is 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is VHWMYRYPNVWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3/c1-21(2,3)19(28)16-17(13-7-5-4-6-8-13)26(20(29)18(16)27)15-11-9-14(10-12-15)22(23,24)25/h9-13,16-17H,4-8H2,1-3H3.
What are the key properties of 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 409.45 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-(2,2-dimethylpropanoyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 123160075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).