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6-Fluoro-2-Methylquinoline
CAS: 1128-61-6 | C10H8FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1128-61-6
Molecular Formula:
C10H8FN
Molecular Mass:
161.18 g/mol
Names and Synonyms:
6-Fluoro-2-Methylquinoline
Quinoline, 6-fluoro-2-methyl-
Quinaldine, 6-fluoro-
6-Fluoro-2-methylquinoline
6-Fluoroquinaldine
2-Methyl-6-fluoroquinoline
Identifiers:
SMILES:
Cc1ccc2cc(F)ccc2n1
InChI:
InChI=1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
Key Properties
Boiling Point
123-126 °C @ Press: 17 Torr
CAS Common Chemistry
Melting Point
57-59 °C
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 | 161.18 g/mol | CAS Common Chemistry |
| 161.179 g/mol | RDKit | |
| 161.064077476 g/mol | RDKit | |
| Boiling Point | 123-126 °C @ Press: 17 Torr | CAS Common Chemistry |
| Canonical SMILES | FC=1C=CC=2N=C(C=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GPIARMSVZOEZCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57-59 °C | CAS Common Chemistry |
| Name | 6-Fluoro-2-methylquinoline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 2.6823200000000007 | RDKit |
| Molar Refractivity | 46.43800000000002 | RDKit |
