3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione

C11H16F3NO3 — CID 113443248

IUPAC3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CC(O)C(F)(F)F)C1=O
InChIInChI=1S/C11H16F3NO3/c1-6(2)10(3)4-8(17)15(9(10)18)5-7(16)11(12,13)14/h6-7,16H,4-5H2,1-3H3
InChIKeyCBJPHSWVOZTEAP-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.33
Rot. Bonds3

About 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione

3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione (PubChem CID 113443248) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
PubChem CID113443248
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CC(O)C(F)(F)F)C1=O
InChIInChI=1S/C11H16F3NO3/c1-6(2)10(3)4-8(17)15(9(10)18)5-7(16)11(12,13)14/h6-7,16H,4-5H2,1-3H3
InChIKeyCBJPHSWVOZTEAP-UHFFFAOYSA-N
XLogP1.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione (CID 113443248) is 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(CC(O)C(F)(F)F)C1=O.
What is the InChIKey of 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
The InChIKey is CBJPHSWVOZTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-6(2)10(3)4-8(17)15(9(10)18)5-7(16)11(12,13)14/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione?
3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione has a molecular weight of 267.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 113443248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).