3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione

C15H24F3NO2 — CID 130233326

IUPAC3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CCCCC[C@@H](C)C(F)(F)F)C1=O
InChIInChI=1S/C15H24F3NO2/c1-10(2)12-9-13(20)19(14(12)21)8-6-4-5-7-11(3)15(16,17)18/h10-12H,4-9H2,1-3H3/t11-,12?/m1/s1
InChIKeyWSEZYXJOKZUKGT-JHJMLUEUSA-N
MW307.36 g/mol
LogP3.78
Rot. Bonds7

About 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione

3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione (PubChem CID 130233326) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
PubChem CID130233326
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CCCCC[C@@H](C)C(F)(F)F)C1=O
InChIInChI=1S/C15H24F3NO2/c1-10(2)12-9-13(20)19(14(12)21)8-6-4-5-7-11(3)15(16,17)18/h10-12H,4-9H2,1-3H3/t11-,12?/m1/s1
InChIKeyWSEZYXJOKZUKGT-JHJMLUEUSA-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-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione (CID 130233326) is 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione is CC(C)C1CC(=O)N(CCCCC[C@@H](C)C(F)(F)F)C1=O.
What is the InChIKey of 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione?
The InChIKey is WSEZYXJOKZUKGT-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H24F3NO2/c1-10(2)12-9-13(20)19(14(12)21)8-6-4-5-7-11(3)15(16,17)18/h10-12H,4-9H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of 3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione?
3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]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-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 130233326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).