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Fluorocyclohexane
CAS: 372-46-3 | C6H11F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
372-46-3
Molecular Formula:
C6H11F
Molecular Mass:
102.15 g/mol
Names and Synonyms:
Fluorocyclohexane
Cyclohexane, fluoro-
Fluorocyclohexane
Cyclohexyl fluoride
Identifiers:
SMILES:
FC1CCCCC1
InChI:
InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2
Key Properties
Boiling Point
101 °C
CAS Common Chemistry
Melting Point
13 °C
CAS Common Chemistry
Density
0.93 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.15 g/mol | CAS Common Chemistry |
| 102.15200000000002 g/mol | RDKit | |
| 102.084478572 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9296 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 101 °C | CAS Common Chemistry |
| Canonical SMILES | FC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GOBGVVAHHOUMDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 13 °C | CAS Common Chemistry |
| Name | Fluorocyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 2.2886000000000006 | RDKit |
| Molar Refractivity | 27.980999999999984 | RDKit |
