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Molecule
Perfluorotributylamine
CAS: 311-89-7 · C12F27N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 311-89-7
- Molecular Formula
- C12F27N
- Molecular Mass
- 671.09 g/mol
Identifiers
CAS Registry Number
311-89-7
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(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)F
InChI Key
RVZRBWKZFJCCIB-UHFFFAOYSA-N
InChI
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
Names and Synonyms
- Perfluorotributylamine Synonym
- 1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)- Synonym
- Tributylamine, heptacosafluoro- Synonym
- 1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)- Synonym
- 1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-butanamine Synonym
- FC 43 Synonym
- Tri(perfluorobutyl)amine Synonym
- Heptacosafluorotributylamine Synonym
- Fluorocarbon FC 43 Synonym
- Tris(nonafluorobutyl)amine Synonym
- FC 47 Synonym
- Perfluorotri-n-butylamine Synonym
- Fluorinert FC 43 Synonym
- Medifluor FC 47 Synonym
- Mediflor FC 43 Synonym
- Tris(perfluorobutyl)amine Synonym
- Fluosol FC 43 Synonym
- Eftop EF-L 174 Synonym
- Oxyferol Synonym
- PFTBA Synonym
- Afluid E 18 Synonym
- Perfluorotributylamine Synonym
- Fluorinert 43 Synonym
- NSC 3501 Synonym
- EFL 174S Synonym
- Tri (n-butyl perfluoro) Synonym
- CT-solv 180 Synonym
- Flourinert FC 40 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 671.09 g/mol | CAS Common Chemistry |
| 671.0850000000003 g/mol | RDKit | |
| 671.085 g/mol | RDKit | |
| Density | 1.88 g/cm³ | CAS Common Chemistry |
| 1.884 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorotributylamine | CAS Common Chemistry |
| Boiling Point | 178 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(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)F | CAS Common Chemistry |
| InChI | InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33 | CAS Common Chemistry |
| InChI Key | InChIKey=RVZRBWKZFJCCIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | Perfluorotributylamine | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 8.565500000000004 | RDKit |
| 8.5655 | RDKit | |
| Molar Refractivity | 64.52699999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 670.95996094 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 671.09 g/mol; density = 1.880 g/mL. Edit any field — others recompute live.
