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Molecule
Perfluorotripentylamine
CAS: 338-84-1 · C15F33N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 338-84-1
- Molecular Formula
- C15F33N
- Molecular Mass
- 821.11 g/mol
Identifiers
CAS Registry Number
338-84-1
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
AQZYBQIAUSKCCS-UHFFFAOYSA-N
InChI
InChI=1S/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42
Names and Synonyms
- Perfluorotripentylamine Synonym
- 1-Pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(undecafluoropentyl)- Synonym
- 1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1-pentanamine Synonym
- Perfluorotriamylamine Synonym
- Fluorinert FC 70 Synonym
- FC 70 Synonym
- Perfluorotripentylamine Synonym
- Eftop L 215 Synonym
- Tri(perfluoropentyl)amine Synonym
- Eftop EF-L 215 Synonym
- Perfluord IL 310 Synonym
- Tris(perfluoropentyl)amine Synonym
- 3M FC 70 Synonym
- 1-Pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 821.11 g/mol | CAS Common Chemistry |
| 821.1060000000004 g/mol | RDKit | |
| 821.106 g/mol | RDKit | |
| Density | 1.92 g/cm³ | CAS Common Chemistry |
| 1.923 g/cm3 @ 425 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorotripentylamine | CAS Common Chemistry |
| Boiling Point | 215-216.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42 | CAS Common Chemistry |
| InChI Key | InChIKey=AQZYBQIAUSKCCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perfluorotripentylamine | CAS Common Chemistry |
| Heavy Atom Count | 49 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 10.471400000000001 | RDKit |
| 10.4714 | RDKit | |
| Molar Refractivity | 79.368 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 820.95038026 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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20
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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.
External Resources
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MW = 821.11 g/mol; density = 1.920 g/mL. Edit any field — others recompute live.
