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Molecule
Sevoflurane
CAS: 28523-86-6 · C4H3F7O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28523-86-6
- Molecular Formula
- C4H3F7O
- Molecular Mass
- 200.05 g/mol
Identifiers
CAS Registry Number
28523-86-6
SMILES
FCOC(C(F)(F)F)C(F)(F)F
InChI Key
DFEYYRMXOJXZRJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
Names and Synonyms
- Sevoflurane Common Name
- Propane, 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)- Synonym
- Ether, fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl Synonym
- 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane Synonym
- Sevoflurane Synonym
- Fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether Synonym
- Fluoromethyl 1,1,1,3,3,3-hexafluoro-2-propyl ether Synonym
- R-E 347 Synonym
- 347mmzEβγ Synonym
- Sevofluran Synonym
- Sevofrane Synonym
- MR 6S4 Synonym
- Ultane Synonym
- Sevorane Synonym
- Sevoflo Synonym
- Sevocris Synonym
- Fluoromethyl 1,1,1,3,3,3-hexafluoroisopropyl ether Synonym
- Sevohale Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.05 g/mol | CAS Common Chemistry |
| 200.05299999999997 g/mol | RDKit | |
| 200.053 g/mol | RDKit | |
| Boiling Point | 58.5 °C | CAS Common Chemistry |
| Canonical SMILES | FCOC(C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DFEYYRMXOJXZRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Sevoflurane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.4232000000000005 | RDKit |
| 2.4232 | RDKit | |
| Molar Refractivity | 22.958 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 200.007212256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 200.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H3F7O.
