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Molecule
Enflurane
CAS: 13838-16-9 · C3H2ClF5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13838-16-9
- Molecular Formula
- C3H2ClF5O
- Molecular Mass
- 184.49 g/mol
Identifiers
CAS Registry Number
13838-16-9
SMILES
FC(F)OC(F)(F)C(F)Cl
InChI Key
JPGQOUSTVILISH-UHFFFAOYSA-N
InChI
InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
Names and Synonyms
- Enflurane Synonym
- Ethane, 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoro- Synonym
- Ether, 2-chloro-1,1,2-trifluoroethyl difluoromethyl Synonym
- 2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane Synonym
- Compound 347 Synonym
- Ethrane Synonym
- Enflurane Synonym
- Ohio 347 Synonym
- 347 Synonym
- 2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether Synonym
- 2-Chloro-1,1,2-trifluoro-1-difluoromethoxyethane Synonym
- R-E 235ca2 Synonym
- (±)-Enflurane Synonym
- Methylflurether Synonym
- Alyrane Synonym
- Anesthetic Compound No. 347 Synonym
- NSC 115944 Synonym
- Efrane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.49 g/mol | CAS Common Chemistry |
| 184.491 g/mol | RDKit | |
| 184.488 g/mol | chempirical lib | |
| Density | 1.52 g/cm³ | CAS Common Chemistry |
| 1.52 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 56.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)OC(F)(F)C(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=JPGQOUSTVILISH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Enflurane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.3528000000000002 | RDKit |
| 2.3528 | RDKit | |
| Molar Refractivity | 22.784999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 183.971433464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 184.49 g/mol; density = 1.520 g/mL. Edit any field — others recompute live.
