3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione

C11H16F3NO3 — CID 99704683

IUPAC3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C[C@@H](O)C(F)(F)F)C1=O
InChIInChI=1S/C11H16F3NO3/c1-3-10(4-2)5-8(17)15(9(10)18)6-7(16)11(12,13)14/h7,16H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyFIKCEMVWOOZLNC-SSDOTTSWSA-N
MW267.25 g/mol
LogP1.47
Rot. Bonds4

About 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione (PubChem CID 99704683) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
PubChem CID99704683
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C[C@@H](O)C(F)(F)F)C1=O
InChIInChI=1S/C11H16F3NO3/c1-3-10(4-2)5-8(17)15(9(10)18)6-7(16)11(12,13)14/h7,16H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyFIKCEMVWOOZLNC-SSDOTTSWSA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxybutyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
CID 121515499
1-(2-Hydroxyethyl)-3,4-dimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 58590250
3-Methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
CID 86792573
3,3-Diethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
CID 91648310
(3R)-3-methyl-3-(2-methylpropyl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 97881332
(3S)-3-methyl-3-(2-methylpropyl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 97881333
(3R)-3-methyl-3-(2-methylpropyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 97881334
(3S)-3-methyl-3-(2-methylpropyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 97881335
3,3-diethyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 99704680
3,4-Dimethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2,5-dione
CID 103717789
2-(3,3,3-Trifluoro-2-hydroxypropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 104704512
2-(3,3,3-Trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 104704516

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione (CID 99704683) is 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C[C@@H](O)C(F)(F)F)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione?
The InChIKey is FIKCEMVWOOZLNC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-3-10(4-2)5-8(17)15(9(10)18)6-7(16)11(12,13)14/h7,16H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione has a molecular weight of 267.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 99704683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).