1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione

C9H9F6NO2 — CID 21049780

IUPAC1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)C(C)(C(F)(F)F)C(C)(C(F)(F)F)C1=O
InChIInChI=1S/C9H9F6NO2/c1-6(8(10,11)12)4(17)16(3)5(18)7(6,2)9(13,14)15/h1-3H3
InChIKeyFSDLIKQRPPJZMN-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.12
Rot. Bonds

About 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione

1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 21049780) has the molecular formula C9H9F6NO2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID21049780
Molecular FormulaC9H9F6NO2
Molecular Weight277.16 g/mol
Exact Mass277.05
IUPAC Name1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)C(C)(C(F)(F)F)C(C)(C(F)(F)F)C1=O
InChIInChI=1S/C9H9F6NO2/c1-6(8(10,11)12)4(17)16(3)5(18)7(6,2)9(13,14)15/h1-3H3
InChIKeyFSDLIKQRPPJZMN-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Fluoro-2,2-dimethylpropyl)pyrrolidine-2,5-dione
CID 122380879
1,3,3-Trimethylpyrrolidine-2,5-dione
CID 12394576
3,4-Difluoro-1,3,4-trimethylpyrrolidine-2,5-dione
CID 20593694
1,3,4-Trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 20813313
3-Fluoro-1,3,4-trimethylpyrrolidine-2,5-dione
CID 21049804
1-(Difluoromethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 57711948
3,3-Dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
CID 58364479
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 58741643
3,4,5,5-Tetrafluoro-3,4-dimethyl-1-propylpyrrolidin-2-one
CID 87570897
3,3-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 155351020
3-(Difluoromethyl)-1,3-dimethylpyrrolidin-2-one
CID 172552188
1-Methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 101355880

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione (CID 21049780) is 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione is CN1C(=O)C(C)(C(F)(F)F)C(C)(C(F)(F)F)C1=O.
What is the InChIKey of 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is FSDLIKQRPPJZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NO2/c1-6(8(10,11)12)4(17)16(3)5(18)7(6,2)9(13,14)15/h1-3H3.
What are the key properties of 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione?
1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 277.16 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 21049780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).