YWK
Summary
Name: | pentafluoropropanoic acid |
Formula: | C3 H F5 O2 |
Formal charge: | 0 |
Formula weight: | 164.031 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | pentafluoropropanoic acid |
OpenEye OEToolkits | 2.0.7 | 2,2,3,3,3-pentakis(fluoranyl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)C(F)(F)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) |
InChIKey | InChI | 1.06 | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(F)(F)C(F)(F)F |
SMILES | CACTVS | 3.385 | OC(=O)C(F)(F)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=O)(C(C(F)(F)F)(F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(=O)(C(C(F)(F)F)(F)F)O |