3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc

C6H3F6NO2Zn — CID 175254452

IUPAC3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
SMILESO=C1NC(=O)C(C(F)(F)F)C1C(F)(F)F.[Zn]
InChIInChI=1S/C6H3F6NO2.Zn/c7-5(8,9)1-2(6(10,11)12)4(15)13-3(1)14;/h1-2H,(H,13,14,15);
InChIKeyBSPNOAAQXAMGLH-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.00
Rot. Bonds

About 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc

3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc (PubChem CID 175254452) has the molecular formula C6H3F6NO2Zn and a molecular weight of 300.47 g/mol. Its IUPAC name is 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc.

Molecular Properties

Compound Name3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
PubChem CID175254452
Molecular FormulaC6H3F6NO2Zn
Molecular Weight300.47 g/mol
Exact Mass298.94
IUPAC Name3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
SMILESO=C1NC(=O)C(C(F)(F)F)C1C(F)(F)F.[Zn]
InChIInChI=1S/C6H3F6NO2.Zn/c7-5(8,9)1-2(6(10,11)12)4(15)13-3(1)14;/h1-2H,(H,13,14,15);
InChIKeyBSPNOAAQXAMGLH-UHFFFAOYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 76595213
6-(2-chloroethyl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 76595141
6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione
CID 154171176
(4R)-3-methyl-4-(trifluoromethyl)-1,2-oxazolidin-5-one
CID 58320719
6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione;2,2,2-trifluoroacetic acid
CID 175693704
(3S,3aS,6aS)-2-methyl-3-(trifluoromethyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 124849260
3,4-diiodopyrrolidine-2,5-dione
CID 67657284
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
3-methyl-5-(trifluoromethyl)piperidin-2-one
CID 178159652
5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one
CID 162351710
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
The IUPAC name of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc (CID 175254452) is 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc.
What is the SMILES notation for 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
The canonical SMILES for 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc is O=C1NC(=O)C(C(F)(F)F)C1C(F)(F)F.[Zn].
What is the InChIKey of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
The InChIKey is BSPNOAAQXAMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NO2.Zn/c7-5(8,9)1-2(6(10,11)12)4(15)13-3(1)14;/h1-2H,(H,13,14,15);.
What are the key properties of 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc?
3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc has a molecular weight of 300.47 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc is sourced from PubChem (CID 175254452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).