|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
methyl 2,2,3,3,4,4,4-heptafluorobutanoate , 2,2,3,3,4,4,4-heptafluorobutanoic acid methyl ester , methyl 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate , 2,2,3,3,4,4,4-heptafluorobutyric acid methyl ester
|
| Smiles: |
COC(=O)C(C(C(F)(F)F)(F)F)(F)F
|
| InChi : |
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
|
| InChi Key : |
InChIKey=MRPUVAKBXDBGJQ-UHFFFAOYSA-N
|
| PubChem ID : |
67741
|
|
|
|
| Rotatable bond count : |
4
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
2
|
Ionization potential : |
11.808299
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
2.841
|
| XLogP : |
2.702
|
VDW volume : |
152.453288
|
| Molecular weight : |
228.002127
|
HOMO-LUMO gap : |
11.377000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|