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2-Fluoroethanol
CAS: 371-62-0 | C2H5FO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
371-62-0
Molecular Formula:
C2H5FO
Molecular Mass:
64.06 g/mol
Names and Synonyms:
2-Fluoroethanol
Ethanol, 2-fluoro-
2-Fluoroethanol
Ethylene fluorohydrin
Flutritex 2
1-Fluoroethan-2-ol
β-Fluoroethanol
NSC 158283
Identifiers:
SMILES:
OCCF
InChI:
InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2
Key Properties
Boiling Point
103.5 °C
CAS Common Chemistry
Melting Point
-26.4 °C
CAS Common Chemistry
Density
1.10 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 | 64.06 g/mol | CAS Common Chemistry |
| 64.059 g/mol | RDKit | |
| 64.032443 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1040 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Fluoroethanol | CAS Common Chemistry |
| Boiling Point | 103.5 °C | CAS Common Chemistry |
| Canonical SMILES | FCCO | CAS Common Chemistry |
| InChI | InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GGDYAKVUZMZKRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -26.4 °C | CAS Common Chemistry |
| Name | 2-Fluoroethanol | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.05180000000000007 | RDKit |
| Molar Refractivity | 13.060800000000002 | RDKit |
