Enflurane
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CAS Number 13838-16-9
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Catalog Number io-17994
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Classification Ethers
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Molecular Weight 184.4900
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SMILES C(C(OC(F)F)(F)F)(F)Cl
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Enflurane is an ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups. It has a role as an anaesthetic. It is an organofluorine compound, an organochlorine compound and an ether. It is functionally related to a methoxyethane.
| 1 | enflurane |
| 2 | Methylflurether |
| 3 | 2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane |
| 4 | Efrane |
| 5 | Ethrane |
| Molecular Formula | C3H2ClF5O |
|---|---|
| Canonical SMILES | C(C(OC(F)F)(F)F)(F)Cl |
| Isomeric SMILES | C(C(OC(F)F)(F)F)(F)Cl |
| Molecular Weight | 184.4900 |
| InChIKey | JPGQOUSTVILISH-UHFFFAOYSA-N |
| InChI | InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H |
| XLogP | 2.1000 |
| ExactMass | 183.9714 |
| MonoisotopicMass | 183.9714 |
| TPSA | 9.2000 |
| Complexity | 107.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 6723 |
| PatentFamilyCount | 1910 |
| LiteratureCount | 7485 |
