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Molecule
Perfluorotriethylamine
CAS: 359-70-6 · C6F15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 359-70-6
- Molecular Formula
- C6F15N
- Molecular Mass
- 371.04 g/mol
Identifiers
CAS Registry Number
359-70-6
SMILES
FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChI Key
CBEFDCMSEZEGCX-UHFFFAOYSA-N
InChI
InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15
Names and Synonyms
- Perfluorotriethylamine Common Name
- Ethanamine, 1,1,2,2,2-pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)- Synonym
- Triethylamine, pentadecafluoro- Synonym
- Ethanamine, 1,1,2,2,2-pentafluoro-N,N-bis(pentafluoroethyl)- Synonym
- 1,1,2,2,2-Pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)ethanamine Synonym
- Perfluorotriethylamine Synonym
- Pentadecafluorotriethylamine Synonym
- Tri(perfluoroethyl)amine Synonym
- Tris(pentafluoroethyl)amine Synonym
- Tris(perfluoroethyl) amine Synonym
- FC 131 (amine) Synonym
- FC 131 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 371.04 g/mol | CAS Common Chemistry |
| 371.04299999999995 g/mol | RDKit | |
| 371.043 g/mol | RDKit | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.736 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 71 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15 | CAS Common Chemistry |
| InChI Key | InChIKey=CBEFDCMSEZEGCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -110 °C | CAS Common Chemistry |
| Name | Perfluorotriethylamine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 4.7537 | RDKit |
| Molar Refractivity | 34.84499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 370.9791223 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 |
|---|
200 ppm
180
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140
120
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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 = 371.04 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
