Back to Search
Molecule
Perfluoroperhydrophenanthrene
CAS: 306-91-2 · C14F24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 306-91-2
- Molecular Formula
- C14F24
- Molecular Mass
- 624.11 g/mol
Identifiers
CAS Registry Number
306-91-2
SMILES
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChI Key
QKENRHXGDUPTEM-UHFFFAOYSA-N
InChI
InChI=1S/C14F24/c15-1-2(16)4(18,10(29,30)14(37,38)12(33,34)6(2,21)22)8(25,26)7(23,24)3(1,17)9(27,28)13(35,36)11(31,32)5(1,19)20
Names and Synonyms
- Perfluoroperhydrophenanthrene Synonym
- Phenanthrene, 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorotetradecahydro- Synonym
- Phenanthrene, tetracosafluorotetradecahydro- Synonym
- 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-Tetracosafluorotetradecahydrophenanthrene Synonym
- Flutec PP 11 Synonym
- Perfluoroperhydrophenanthrene Synonym
- PP 11 Synonym
- Perfluorotetradecahydrophenanthrene Synonym
- Perfluorinated tetradecahydrophenanthrene Synonym
- Flutec PC 11 Synonym
- FluoroMed APF 215HP Synonym
- 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-Tetracosafluorophenanthrene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 624.11 g/mol | CAS Common Chemistry |
| 624.1060000000001 g/mol | RDKit | |
| 624.106 g/mol | RDKit | |
| Boiling Point | 210 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(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/C14F24/c15-1-2(16)4(18,10(29,30)14(37,38)12(33,34)6(2,21)22)8(25,26)7(23,24)3(1,17)9(27,28)13(35,36)11(31,32)5(1,19)20 | CAS Common Chemistry |
| InChI Key | InChIKey=QKENRHXGDUPTEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20 °C | CAS Common Chemistry |
| Name | Perfluoroperhydrophenanthrene | CAS Common Chemistry |
| Heavy Atom Count | 38 | 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 | 7.2134000000000045 | RDKit |
| 7.2134 | RDKit | |
| Molar Refractivity | 64.82599999999998 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 623.96167728 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.
External Resources
Convert
Quick conversion
MW = 624.11 g/mol. Edit any field — others recompute live.
