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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 Weight:
64.059 g/mol
Names and Synonyms:
2-Fluoroethanol
Common Name
NSC 158283
Synonym
β-Fluoroethanol
Synonym
1-Fluoroethan-2-ol
Synonym
Flutritex 2
Synonym
Ethylene fluorohydrin
Synonym
2-Fluoroethanol
Synonym
Ethanol, 2-fluoro-
Synonym
Identifiers:
SMILES:
OCCF
InChI:
InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 64.059 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 64.032443 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.05180000000000007 | RDKit |
| molecular_mass | 64.06 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Fluoroethanol None | Legacy Database |
| cas-boiling-point | 103.5 °C None | Legacy Database |
| cas-canonical-smile | FCCO None | Legacy Database |
| cas-density | 1.1040 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GGDYAKVUZMZKRV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -26.4 °C None | Legacy Database |
| cas-name | 2-Fluoroethanol None | Legacy Database |
| wikipedia-name | 2-Fluoroethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.060800000000002 | RDKit |