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Molecule
1-Fluorodecane
CAS: 334-56-5 · C10H21F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 334-56-5
- Molecular Formula
- C10H21F
- Molecular Mass
- 160.28 g/mol
Identifiers
CAS Registry Number
334-56-5
SMILES
CCCCCCCCCCF
InChI Key
LHLRHWJTTUCDQA-UHFFFAOYSA-N
InChI
InChI=1S/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
Names and Synonyms
- 1-Fluorodecane Systematic Name
- Decane, 1-fluoro- Synonym
- 1-Fluorodecane Synonym
- Decyl fluoride Synonym
- 1-Decylfluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.28 g/mol | CAS Common Chemistry |
| 160.27599999999998 g/mol | RDKit | |
| 160.276 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.792 g/cm3 @ 10.2 °C | CAS Common Chemistry | |
| Boiling Point | 186.2 °C | CAS Common Chemistry |
| Canonical SMILES | FCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H21F/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LHLRHWJTTUCDQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35 °C | CAS Common Chemistry |
| Name | 1-Fluorodecane | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 4.096600000000003 | RDKit |
| 4.0966 | RDKit | |
| 4.44 | chempirical lib | |
| Molar Refractivity | 48.58500000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 160.162728892 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 = 160.28 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
