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Perfluoro-N-Methylmorpholine
CAS: 382-28-5 | C5F11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
382-28-5
Molecular Formula:
C5F11NO
Molecular Mass:
299.04 g/mol
Names and Synonyms:
Perfluoro-N-Methylmorpholine
Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)-
2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine
4-(Trifluoromethyl)perfluoromorpholine
Perfluoro-N-methylmorpholine
L 12422
PF 5052
Fluorinert PF 5052
Perfluoro(4-methylmorpholine)
PFC 5052
Identifiers:
SMILES:
FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChI:
InChI=1S/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16
Key Properties
Boiling Point
51 °C
CAS Common Chemistry
Melting Point
-80 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.04 g/mol | CAS Common Chemistry |
| 299.03899999999993 g/mol | RDKit | |
| 298.98042404 g/mol | RDKit | |
| Boiling Point | 51 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16 | CAS Common Chemistry |
| InChI Key | InChIKey=PQMAKJUXOOVROI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80 °C | CAS Common Chemistry |
| Name | Perfluoro-N-methylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 3.2095999999999996 | RDKit |
| Molar Refractivity | 28.767000000000003 | RDKit |
