3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione

C15H24F3NO2 — CID 144997461

IUPAC3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCCC(C(C)C)C(F)(F)F)C1=O
InChIInChI=1S/C15H24F3NO2/c1-10(2)12(15(16,17)18)7-5-4-6-8-19-13(20)9-11(3)14(19)21/h10-12H,4-9H2,1-3H3
InChIKeyOZEJXULZDSRZDO-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.78
Rot. Bonds7

About 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione

3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione (PubChem CID 144997461) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione
PubChem CID144997461
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCCC(C(C)C)C(F)(F)F)C1=O
InChIInChI=1S/C15H24F3NO2/c1-10(2)12(15(16,17)18)7-5-4-6-8-19-13(20)9-11(3)14(19)21/h10-12H,4-9H2,1-3H3
InChIKeyOZEJXULZDSRZDO-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione (CID 144997461) is 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CCCCCC(C(C)C)C(F)(F)F)C1=O.
What is the InChIKey of 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione?
The InChIKey is OZEJXULZDSRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c1-10(2)12(15(16,17)18)7-5-4-6-8-19-13(20)9-11(3)14(19)21/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione?
3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione has a molecular weight of 307.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[7-methyl-6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 144997461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).