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Molecule
1-Fluorononane
CAS: 463-18-3 · C9H19F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 463-18-3
- Molecular Formula
- C9H19F
- Molecular Mass
- 146.25 g/mol
Identifiers
CAS Registry Number
463-18-3
SMILES
CCCCCCCCCF
InChI Key
ITPAUTYYXIENLO-UHFFFAOYSA-N
InChI
InChI=1S/C9H19F/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
Names and Synonyms
- 1-Fluorononane Systematic Name
- Nonane, 1-fluoro- Synonym
- 1-Fluorononane Synonym
- Nonyl fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.25 g/mol | CAS Common Chemistry |
| 146.249 g/mol | RDKit | |
| Boiling Point | 167.5 °C | CAS Common Chemistry |
| Canonical SMILES | FCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H19F/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ITPAUTYYXIENLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1 °C | CAS Common Chemistry |
| Name | 1-Fluorononane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.706500000000003 | RDKit |
| 3.7065 | RDKit | |
| 4.05 | chempirical lib | |
| Molar Refractivity | 43.96800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 146.147078828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 146.25 g/mol. Edit any field — others recompute live.
