3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione

C11H14F5NO3 — CID 91651244

IUPAC3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CCOCC(F)(F)C(F)(F)F)C(=O)C1C
InChIInChI=1S/C11H14F5NO3/c1-6-7(2)9(19)17(8(6)18)3-4-20-5-10(12,13)11(14,15)16/h6-7H,3-5H2,1-2H3
InChIKeyTXLPCEVJNHKGGO-UHFFFAOYSA-N
MW303.23 g/mol
LogP1.84
Rot. Bonds5

About 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione (PubChem CID 91651244) has the molecular formula C11H14F5NO3 and a molecular weight of 303.23 g/mol. Its IUPAC name is 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione
PubChem CID91651244
Molecular FormulaC11H14F5NO3
Molecular Weight303.23 g/mol
Exact Mass303.09
IUPAC Name3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CCOCC(F)(F)C(F)(F)F)C(=O)C1C
InChIInChI=1S/C11H14F5NO3/c1-6-7(2)9(19)17(8(6)18)3-4-20-5-10(12,13)11(14,15)16/h6-7H,3-5H2,1-2H3
InChIKeyTXLPCEVJNHKGGO-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'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
3,3,4,4-Tetramethyl-1-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]pyrrolidine-2,5-dione
CID 20771578
1-(2-Hydroxyethyl)-3,4-dimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 58590250
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 58741643
N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78860212
Ethyl 2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-fluoroacetate
CID 81297352
1-[2-(2,2-Difluoroethoxy)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 91662264
(3S,4R)-3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione
CID 99827668
(3S,4S)-3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione
CID 99827669
(3R,4R)-3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione
CID 99827670
(3R)-1-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 99858243
(4S)-4-propan-2-yl-3-[(2S)-3,4,4,4-tetrafluoro-2-methyl-3-(trifluoromethyl)butanoyl]-1,3-oxazolidin-2-one
CID 101682399

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione (CID 91651244) is 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione is CC1C(=O)N(CCOCC(F)(F)C(F)(F)F)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione?
The InChIKey is TXLPCEVJNHKGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5NO3/c1-6-7(2)9(19)17(8(6)18)3-4-20-5-10(12,13)11(14,15)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione has a molecular weight of 303.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 91651244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).