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1,1,2-Trifluoroethane
CAS: 430-66-0 | C2H3F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
430-66-0
Molecular Formula:
C2H3F3
Molecular Mass:
84.04 g/mol
Names and Synonyms:
1,1,2-Trifluoroethane
Ethane, 1,1,2-trifluoro-
1,1,2-Trifluoroethane
R 143
FC 143
HFC 143
R 143b
HFA 143
Identifiers:
SMILES:
FCC(F)F
InChI:
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2
Key Properties
Boiling Point
5 °C
CAS Common Chemistry
Melting Point
-84 °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 | 84.04 g/mol | CAS Common Chemistry |
| 84.018684756 g/mol | RDKit | |
| Boiling Point | 5 °C | CAS Common Chemistry |
| Canonical SMILES | FCC(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -84 °C | CAS Common Chemistry |
| Name | 1,1,2-Trifluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.221 | RDKit |
| Molar Refractivity | 11.979000000000003 | RDKit |
