VLI
Summary
| Name: | (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one |
| Formula: | C10 H8 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-6-methyl-3-oxidanyl-3-(trifluoromethyl)-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)C1(O)c2ccc(C)cc2NC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FIEVIPASBRMCMZ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2c(NC(=O)[C@]2(O)C(F)(F)F)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2c(NC(=O)[C]2(O)C(F)(F)F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)NC(=O)[C@@]2(C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)NC(=O)C2(C(F)(F)F)O |
