1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene

C19H25F4NO4 — CID 160774064

IUPAC1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)ON1C(=O)CCC1=O.Cc1c(F)c(F)c(OC(C)(C)C)c(F)c1F
InChIInChI=1S/C11H12F4O.C8H13NO3/c1-5-6(12)8(14)10(9(15)7(5)13)16-11(2,3)4;1-8(2,3)12-9-6(10)4-5-7(9)11/h1-4H3;4-5H2,1-3H3
InChIKeyRZSAQTRFIGLSQX-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.59
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene

1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 160774064) has the molecular formula C19H25F4NO4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID160774064
Molecular FormulaC19H25F4NO4
Molecular Weight407.40 g/mol
Exact Mass407.17
IUPAC Name1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)ON1C(=O)CCC1=O.Cc1c(F)c(F)c(OC(C)(C)C)c(F)c1F
InChIInChI=1S/C11H12F4O.C8H13NO3/c1-5-6(12)8(14)10(9(15)7(5)13)16-11(2,3)4;1-8(2,3)12-9-6(10)4-5-7(9)11/h1-4H3;4-5H2,1-3H3
InChIKeyRZSAQTRFIGLSQX-UHFFFAOYSA-N
XLogP4.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
CID 22625262
1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
CID 160926267
4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
CID 158433882
1,2,4,5-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 12615516
bis((2,5-dioxopyrrolidin-1-yl) 2,2-dimethylpropanoate);(2-methylidene-5-oxopyrrolidin-1-yl) 3,3-dimethylbutanoate;(2,3,4,6-tetrafluoro-5-methylphenyl) 2,2-dimethylpropanoate;(2,3,6-trifluoro-5-methylphenyl) 2,2-dimethylpropanoate
CID 162201087
1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
CID 158564297
acetic acid;methane;(2-methylidene-5-oxopyrrolidin-1-yl) acetate;methylimino(oxo)methane;methylimino(sulfanylidene)methane;(2,3,5,6-tetrafluoro-4-methylphenyl) acetate
CID 157240645
1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
CID 171489042
1-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]oxypyrrolidine-2,5-dione
CID 162550338
tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
CID 143366500
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
methyl (2,3,5,6-tetrafluoro-4-methylphenyl) carbonate
CID 118176061

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene (CID 160774064) is 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)ON1C(=O)CCC1=O.Cc1c(F)c(F)c(OC(C)(C)C)c(F)c1F.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is RZSAQTRFIGLSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O.C8H13NO3/c1-5-6(12)8(14)10(9(15)7(5)13)16-11(2,3)4;1-8(2,3)12-9-6(10)4-5-7(9)11/h1-4H3;4-5H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene?
1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 407.40 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 160774064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).