Basic information
- CAS
6052-93-3- Standard SMILES
O=C1C2CC=CCC2C(=O)N1c1cccc(C(F)(F)F)c1- InChIKey
IXRLEZPGACZDIB-UHFFFAOYSA-N- Molecular formula
- C15H12F3NO2
- Average molar mass
- 295.26 g/mol
- Monoisotopic mass
- 295.08201311
Names & identifiers
- Preferred name
- 2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- English name
- 1,3,8-Trihydroxyxanthone
- Molecular formula
- C13H8O5
- Molecular weight
- 244.2
Names & synonyms
6052-93-32-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dioneAK-918/117771042-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dioneCHEMBL5084563DTXSID50387176STK268693AKOS001613267AKOS022075583ST50854655SR-01000417778SR-01000417778-1
Show more names
9H-Xanthen-9-one, 1,3,8-trihydroxy-Norsterigmatocystin1,3,8-Trihydroxyxanthone1,3,8-Trihydroxy-9H-xanthen-9-one
2-[3-(trifluoromethyl)phenyl]-4,7,3a,7a-tetrahydroisoindole-1,3-dione
Database identifiers
- CAS
6052-93-3- PubChem CID
- 2883166
- DTXSID
DTXSID50387176- ChEMBL
CHEMBL5084563
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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