Back to Search
Molecule
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-Nonanol
CAS: 376-18-1 · C9H4F16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 376-18-1
- Molecular Formula
- C9H4F16O
- Molecular Mass
- 432.10 g/mol
Identifiers
CAS Registry Number
376-18-1
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI Key
MSXVQELLSMPBFD-UHFFFAOYSA-N
InChI
InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2
Names and Synonyms
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-Nonanol Systematic Name
- 1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro- Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol Synonym
- α,α,ω-Trihydro-perfluorononyl alcohol Synonym
- 1H,1H,9H-Hexadecafluoro-1-hydroxynonane Synonym
- 1H,1H,9H-Hexadecafluoro-1-nonanol Synonym
- α,α,ω-Trihydroperfluorononanol Synonym
- Hexadecylfluorononyl alcohol Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanol Synonym
- NSC 5597 Synonym
- A 5810 Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononan-1-ol Synonym
- 1,1,9-Trihydroperfluorononanol Synonym
- 1H,1H,9H-Perfluorononyl alcohol Synonym
- 1,1,9-Trihydroperfluorononanol-1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 432.10 g/mol | CAS Common Chemistry |
| 432.09799999999996 g/mol | RDKit | |
| 432.098 g/mol | RDKit | |
| 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)CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MSXVQELLSMPBFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66 °C | CAS Common Chemistry |
| Name | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.690900000000002 | RDKit |
| 4.6909 | RDKit | |
| Molar Refractivity | 47.7188 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 432.00066626800003 g/mol | RDKit |
| Boiling Point | 156-158 °C @ 194 Torr | CAS Common Chemistry |
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 = 432.10 g/mol. Edit any field — others recompute live.
