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Documentation3-fluoro-2-(fluoromethyl)propanal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02359 |
| SMILES |
O=CC(CF)CF
|
| InChIKey |
WZGJZDNMGRPHTQ-UHFFFAOYSA-N
|
| MW [Da] |
108.09
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
17868748
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24462
Similarity: 0.8125
Similarity to MM24462
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111416
Similarity: 0.7273
Similarity to MM111416
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16044
Similarity: 0.6842
Similarity to MM16044
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.8125 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
