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Molecule
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
Identifiers
CAS Registry Number
371-62-0
SMILES
OCCF
InChI Key
GGDYAKVUZMZKRV-UHFFFAOYSA-N
InChI
InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2
Names and Synonyms
- 2-Fluoroethanol Systematic Name
- Ethanol, 2-fluoro- Synonym
- 2-Fluoroethanol Synonym
- Ethylene fluorohydrin Synonym
- Flutritex 2 Synonym
- 1-Fluoroethan-2-ol Synonym
- β-Fluoroethanol Synonym
- NSC 158283 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 64.06 g/mol | CAS Common Chemistry |
| 64.059 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1040 g/cm3 @ 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 |
| -0.0518 | RDKit | |
| Molar Refractivity | 13.060800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 64.032443 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 64.06 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
