T0V
Summary
| Name: | 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine |
| Formula: | C12 H12 F N O |
| Formal charge: | 0 |
| Formula weight: | 205.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine |
| OpenEye OEToolkits | 2.0.7 | 1-(3-fluorophenyl)-~{N}-(furan-2-ylmethyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(CNCc1cc(F)ccc1)occc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2 |
| InChIKey | InChI | 1.03 | AFHNQIFVWMDQAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(CNCc2occc2)c1 |
| SMILES | CACTVS | 3.385 | Fc1cccc(CNCc2occc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)CNCc2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)CNCc2ccco2 |
