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Molecule
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluorodecane
CAS: 375-97-3 · C10HF21
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 375-97-3
- Molecular Formula
- C10HF21
- Molecular Mass
- 520.08 g/mol
Identifiers
CAS Registry Number
375-97-3
SMILES
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
DSNMEFYRPYNWJJ-UHFFFAOYSA-N
InChI
InChI=1S/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H
Names and Synonyms
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluorodecane Systematic Name
- Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro- Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluorodecane Synonym
- 1H-Perfluorodecane Synonym
- 1-Hydroperfluorodecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 520.08 g/mol | CAS Common Chemistry |
| 520.076 g/mol | RDKit | |
| Boiling Point | 159-160 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=DSNMEFYRPYNWJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 31-32 °C | CAS Common Chemistry |
| Name | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluorodecane | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.896200000000004 | RDKit |
| 6.8962 | RDKit | |
| Molar Refractivity | 51.63499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 519.974292652 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
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MW = 520.08 g/mol. Edit any field — others recompute live.
