| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 10 | No |
Popular Name: Isoflurane Isoflurane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 26675-46-7 , 2716-10-1 , [26675-46-7]
1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether
1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether 99%
1-Chloro-2,2,2-Trifluoroethyl Difluoromethyl Ether [26675-46-7]
1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether, 97%
1-chloro-2,2,2-trifluoroethyl difluoromethyl ether; Isoflurane
1-Chloro-2,2,2-TrifluoroethylDifluoromethylEther
2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane
26675-46-7; C07518; Isoflurane
26675-46-7; D00545; Forane (TN); Isoflurane (JP16/USP/INN)
Aerrane; Ethane; Forane; Forene
CHLOROTRIFLUOROETHYLDIFLUOROMETHYLETHE
Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-
Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl
Isoflurane [Anaesthetics, volatile]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.36 | 2.48 | -4.06 | 0 | 1 | 0 | 9 | 184.491 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.56e+00 g/l | DrugBank-approved |
| Boiling_Point | 48-49? | Alfa-Aesar |
| Boiling_Point | 48-49° | Alfa-Aesar |
| BP | 49 | TCI |
| BP | 49° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Indications | anesthetic | KeyOrganics Bioactives |
| Warnings | Irritant/Refrigerate | Matrix Scientific |
| Warnings | Refrigerate | Matrix Scientific |
| Patent Database Links | US2002016373; US2003130359; US2007221217; US2008234257; US2008268071; WO2008140859 | ChEBI |
| _Notes | Useful solvent for dispersing fluorinated materials.Pharmacology, Byles et al., Can. Anaesth. Soc. J., 1971, 35, 8-53. *Not anaesthetic grade* | Apollo Scientific |
No pre-computed analogs available. Try a structural similarity search.