1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C11H17F2NO3 — CID 106172612

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C11H17F2NO3/c1-7(2)10(3)4-8(16)14(9(10)17)5-11(12,13)6-15/h7,15H,4-6H2,1-3H3
InChIKeyJCOCOTFMAUGGPC-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.04
Rot. Bonds4

About 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 106172612) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID106172612
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(CC(F)(F)CO)C1=O
InChIInChI=1S/C11H17F2NO3/c1-7(2)10(3)4-8(16)14(9(10)17)5-11(12,13)6-15/h7,15H,4-6H2,1-3H3
InChIKeyJCOCOTFMAUGGPC-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.04
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

(3S)-1-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 99858244
3-Methyl-3-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-2,5-dione
CID 78900317
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
1-[2-(2,2-Difluoroethoxy)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 91662264
(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
3,3-diethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 99704683
(3R)-1-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 99858243

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 106172612) is 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(CC(F)(F)CO)C1=O.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is JCOCOTFMAUGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-7(2)10(3)4-8(16)14(9(10)17)5-11(12,13)6-15/h7,15H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 249.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106172612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).