5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C20H20F3NO3 — CID 135365171

IUPAC5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCC(C)N1C(=O)C(Cc2ccc(C(F)(F)F)cc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C20H20F3NO3/c1-13(2)24-18(26)15(12-27-19(24)9-7-17(25)8-10-19)11-14-3-5-16(6-4-14)20(21,22)23/h3-10,13,15H,11-12H2,1-2H3
InChIKeyWZUYDDWRTYYYCT-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.52
Rot. Bonds3

About 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 135365171) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID135365171
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESCC(C)N1C(=O)C(Cc2ccc(C(F)(F)F)cc2)COC12C=CC(=O)C=C2
InChIInChI=1S/C20H20F3NO3/c1-13(2)24-18(26)15(12-27-19(24)9-7-17(25)8-10-19)11-14-3-5-16(6-4-14)20(21,22)23/h3-10,13,15H,11-12H2,1-2H3
InChIKeyWZUYDDWRTYYYCT-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 135365171) is 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is CC(C)N1C(=O)C(Cc2ccc(C(F)(F)F)cc2)COC12C=CC(=O)C=C2.
What is the InChIKey of 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is WZUYDDWRTYYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-13(2)24-18(26)15(12-27-19(24)9-7-17(25)8-10-19)11-14-3-5-16(6-4-14)20(21,22)23/h3-10,13,15H,11-12H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 379.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 135365171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).