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Molecule
Perfluoro-N-Methylmorpholine
CAS: 382-28-5 · C5F11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 382-28-5
- Molecular Formula
- C5F11NO
- Molecular Mass
- 299.04 g/mol
Identifiers
CAS Registry Number
382-28-5
SMILES
FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChI Key
PQMAKJUXOOVROI-UHFFFAOYSA-N
InChI
InChI=1S/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16
Names and Synonyms
- Perfluoro-N-Methylmorpholine Synonym
- Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)- Synonym
- 2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine Synonym
- 4-(Trifluoromethyl)perfluoromorpholine Synonym
- Perfluoro-N-methylmorpholine Synonym
- L 12422 Synonym
- PF 5052 Synonym
- Fluorinert PF 5052 Synonym
- Perfluoro(4-methylmorpholine) Synonym
- PFC 5052 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.04 g/mol | CAS Common Chemistry |
| 299.03899999999993 g/mol | RDKit | |
| 299.039 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 |
| 12.24 Ų | chempirical lib | |
| LogP | 3.2095999999999996 | RDKit |
| 3.2096 | RDKit | |
| Molar Refractivity | 28.767000000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 298.98042404 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| 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.
External Resources
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MW = 299.04 g/mol. Edit any field — others recompute live.
