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Molecule
1,1,2,2,3,3,4,4,4A,4B,5,5,6,6,7,7,8,8,8A,9,9,9A-Docosafluorododecahydro-1H-Fluorene
CAS: 307-08-4 · C13F22
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 307-08-4
- Molecular Formula
- C13F22
- Molecular Mass
- 574.10 g/mol
Identifiers
CAS Registry Number
307-08-4
SMILES
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChI Key
PDFYOLXVKFUEPM-UHFFFAOYSA-N
InChI
InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21
Names and Synonyms
- 1,1,2,2,3,3,4,4,4A,4B,5,5,6,6,7,7,8,8,8A,9,9,9A-Docosafluorododecahydro-1H-Fluorene Synonym
- 1H-Fluorene, 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,9a-docosafluorododecahydro- Synonym
- Fluorene, docosafluorododecahydro- Synonym
- 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,9a-Docosafluorododecahydro-1H-fluorene Synonym
- Perfluoroperhydrofluorene Synonym
- Flutec PP 10 Synonym
- Perfluorododecahydrofluorene Synonym
- PP 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 574.10 g/mol | CAS Common Chemistry |
| 574.099 g/mol | RDKit | |
| Boiling Point | 190 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C32F | CAS Common Chemistry |
| InChI | InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21 | CAS Common Chemistry |
| InChI Key | InChIKey=PDFYOLXVKFUEPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,9a-Docosafluorododecahydro-1H-fluorene | CAS Common Chemistry |
| Heavy Atom Count | 35 | 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 | 6.578100000000004 | RDKit |
| 6.5781 | RDKit | |
| Molar Refractivity | 59.878999999999984 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 573.96487084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 574.10 g/mol. Edit any field — others recompute live.
