2FT
Summary
Name: | 2,2-difluoropentanedioic acid |
Formula: | C5 H6 F2 O4 |
Formal charge: | 0 |
Formula weight: | 168.096 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | 2,2-difluoropentanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CCC(F)(F)C(O)=O |
SMILES | CACTVS | 3.352 | OC(=O)CCC(F)(F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CC(C(=O)O)(F)F)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(C(=O)O)(F)F)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11) |
InChIKey | InChI | 1.03 | PIVAHSCRTJPWJU-UHFFFAOYSA-N |