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Perfluoro(1-Methyldecalin)
CAS: 306-92-3 | C11F20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
306-92-3
Molecular Formula:
C11F20
Molecular Mass:
512.08 g/mol
Names and Synonyms:
Perfluoro(1-Methyldecalin)
Flutec PP 9
PP 9
Perfluoromethyldecalin
Perfluoromethyldecaline
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-Heptadecafluoro-8-(trifluoromethyl)naphthalene
Naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluorodecahydro-8-(trifluoromethyl)-
Naphthalene, heptadecafluorodecahydro-1-(trifluoromethyl)-
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-Heptadecafluorodecahydro-8-(trifluoromethyl)naphthalene
Perfluoro(1-methyldecalin)
1-(Trifluoromethyl)perfluorodecalin
Perfluoro(decahydro-1-methylnaphthalene)
Identifiers:
SMILES:
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChI:
InChI=1S/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31
Key Properties
Boiling Point
161 °C
CAS Common Chemistry
Melting Point
-70 °C
CAS Common Chemistry
Density
1.96 g/cm³
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 | 512.08 g/mol | CAS Common Chemistry |
| 512.081 g/mol | RDKit | |
| 511.9680644 g/mol | RDKit | |
| Density | 1.96 g/cm³ | CAS Common Chemistry |
| 1.9606 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 161 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F | CAS Common Chemistry |
| InChI | InChI=1S/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31 | CAS Common Chemistry |
| InChI Key | InChIKey=LWRNQOBXRHWPGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | Perfluoro(1-methyldecalin) | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.1479000000000035 | RDKit |
| Molar Refractivity | 52.200999999999986 | RDKit |
