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13838-16-9 molecular structure
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2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane

ChemBase ID: 113
Molecular Formular: C3H2ClF5O
Molecular Mass: 184.492396
Monoisotopic Mass: 183.97143346
SMILES and InChIs

SMILES:
ClC(F)C(F)(F)OC(F)F
Canonical SMILES:
FC(OC(C(Cl)F)(F)F)F
InChI:
InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
InChIKey:
JPGQOUSTVILISH-UHFFFAOYSA-N

Cite this record

CBID:113 http://www.chembase.cn/molecule-113.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
IUPAC Traditional name
enflurane
Brand Name
Alyrane
Efrane
Ethrane
Synonyms
Anesthetic 347
Anesthetic Compound No. 347
Compound 347
Enflurano [INN-Spanish]
Enfluranum [INN-Latin]
Methylflurether
Ohio 347
Enflurane
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
Enflurane
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
4-Chloro-1H,4H-perfluoro(2-oxabutane) 99+%
2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
2-氯-1,1,2-三氟乙基 二氟甲基 醚
CAS Number
13838-16-9
EC Number
237-553-4
MDL Number
MFCD00069095
Beilstein Number
1737129
Merck Index
143581
PubChem SID
46505314
160963576
PubChem CID
3226
CHEBI ID
4792
ATC CODE
N01AB04
CHEMBL
1257
Chemspider ID
3113
DrugBank ID
DB00228
KEGG ID
D00543
Unique Ingredient Identifier
91I69L5AY5
Wikipedia Title
Enflurane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 2.7992094  LogD (pH = 7.4) 2.7992094 
Log P 2.7992094  Molar Refractivity 23.0654 cm3
Polarizability 8.945335 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 2.24  LOG S -1.67 
Solubility (Water) 3.90e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Practically insoluble (5620 mg/L) expand Show data source
Boiling Point
56°C expand Show data source
56-57°C expand Show data source
Flash Point
None expand Show data source
Density
1.517 expand Show data source
Refractive Index
1.303 expand Show data source
1.3030 expand Show data source
Hydrophobicity(logP)
2.1 expand Show data source
2.459 expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
RTECS
KN6800000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P280-P264-P305+P351+P338-P337+P313 expand Show data source
Protein Bound
97% expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia Apollo Scientific Apollo Scientific
DrugBank - DB00228 external link
Item Information
Drug Groups approved
Description An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate. [PubChem]
Indication Used for the induction and maintenance of general anaesthesia during surgery and cesarean section and also used for analgesia during vaginal delivery.
Pharmacology Enflurane is an extremely stable halogenated ether inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate. Enflurane induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. Induction of and recovery from anesthesia with enflurane are rapid. Enflurane may provide a mild stimulus to salivation or tracheobronchial secretions. Pharyngeal and laryngeal reflexes are readily obtunded. In the cardiovascular system, enflurane is a mild negative inotrope, causing a marked decrease in systemic vascular resistance, thus leading to a decrease in mean arterial pressure. This results in a reflex tachycardia. Enflurane also decreases coronary vascular resistance and sensitizes the myocardium to circulating catecholamines. Enflurane is a strong respiratory depressant. It decreases tidal volume but may increase respiratory rate. It also causes bronchodilatationa and inhibits pulmonary macrophage activity and mucociliary activity. Enflurane principle action in the CNS is general anaesthesia with little analgesic effect. It causes increased cerebral blood flow in concentrations and may induce tonic/clonic muscle activity and epileptiform EEG traces. It also causes a marked decrease in skeletal muscle tone. Actions in the genitourinary system include a decreased renal blood flow and glomerular filtration rate and the tone of pregnant uterus is decreased.
Toxicity LD50=5.4 ml/kg (oral, rat). Symptoms of acute overdose include nausea, vomiting, irritation to the eyes, skin and nose/throat, headache, dizziness, and drowsiness. Symptoms of chronic overdose include hypotension, cardiac arrhythmias, respiratory depression, and liver/kidney dysfunction.
Affected Organisms
Humans and other mammals
Biotransformation 2.4% of the dose is slowly metabolized hepatically via oxidation and dehalogenation (primarily through the actions of cytochrome P450 2E1). Leads to low levels of serum fluoride (15 µmol/L).
Absorption Rapidly absorbed into the circulation via the lungs.
Protein Binding 97%
References
[Link]
External Links
Wikipedia
Apollo Scientific Ltd - PC2040 external link
Useful solvent for dispersing fluorinated materials.Anaesthetic properties, Terrell et al., J. Med. Chem., 1971, 14, 517. *Not anaesthetic grade*

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Useful solvent for dispersing fluorinated materials. (NOT anaesthetic grade).
  • •  Link
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PATENTS

PATENTS

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