2-Methyl-4-(trifluoromethyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2h,3ah)-dione - CAS 2097966-42-0
Catalog: |
BB063690 |
Product Name: |
2-Methyl-4-(trifluoromethyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2h,3ah)-dione |
CAS: |
2097966-42-0 |
Synonyms: |
Tetrahydro- 2- methyl- 4- (trifluoromethyl) pyrrolo[3, 4- c] pyrrole- 1, 3(2H, 3aH) - dione |
IUPAC Name: | 5-methyl-3-(trifluoromethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione |
Description: | 2-Methyl-4-(trifluoromethyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2h,3ah)-dione is a useful research chemical. |
Molecular Weight: | 222.16 |
Molecular Formula: | C8H9F3N2O2 |
Canonical SMILES: | CN1C(=O)C2CNC(C2C1=O)C(F)(F)F |
InChI: | InChI=1S/C8H9F3N2O2/c1-13-6(14)3-2-12-5(8(9,10)11)4(3)7(13)15/h3-5,12H,2H2,1H3 |
InChI Key: | UKCIUQMQRHYUBX-UHFFFAOYSA-N |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.06161202 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.06161202 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.4Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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