2-(Dichloromethyl)tetrahydrofuran
PubChem CID: 551259
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| Compound Synonyms | 2-(Dichloromethyl)tetrahydrofuran, 2-(dichloromethyl)oxolane, 931-05-5, alpha,alpha-dichloromethyltetrahydrofuran, CHEBI:87308, 2-dichloromethyltetrahydrofuran, SCHEMBL232066, LRRYUPYELLDERY-UHFFFAOYSA-N, DTXSID101300426, 2-(Dichloromethyl)tetrahydrofuran #, Furan, 2-(dichloromethyl)-tetrahydro-, Q27159515 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(dichloromethyl)oxolane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | False |
| Molecular Formula | C5H8Cl2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LRRYUPYELLDERY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 2-(Dichloromethyl)tetrahydrofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 153.995 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 153.995 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 155.02 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9825488000000002 |
| Inchi | InChI=1S/C5H8Cl2O/c6-5(7)4-2-1-3-8-4/h4-5H,1-3H2 |
| Smiles | C1CC(OC1)C(Cl)Cl |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients