XS8
Summary
Name: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine |
Formula: | C9 H10 F N O |
Formal charge: | 0 |
Formula weight: | 167.18 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1 |
InChIKey | InChI | 1.06 | WVQYSVLMDHXHOV-QMMMGPOBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCOc2ccc(F)cc12 |
SMILES | CACTVS | 3.385 | N[CH]1CCOc2ccc(F)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)[C@H](CCO2)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)C(CCO2)N |