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1,1,1-Trifluoroethane
CAS: 420-46-2 | C2H3F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
420-46-2
Molecular Formula:
C2H3F3
Molecular Mass:
84.04 g/mol
Names and Synonyms:
1,1,1-Trifluoroethane
Ethane, 1,1,1-trifluoro-
1,1,1-Trifluoroethane
Methylfluoroform
R 143a
FC 143a
HFC 143a
CFC 143A
F 143A
HCF 143a
HCFC 143a
Fron 143a
TG 143a
HFA 143a
Freon 143a
HFO 143a
Identifiers:
SMILES:
CC(F)(F)F
InChI:
InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
Key Properties
Boiling Point
-47.5 °C
CAS Common Chemistry
Melting Point
-111.3 °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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1,1-Trifluoroethane | CAS Common Chemistry |
| Boiling Point | -47.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H3F3/c1-2(3,4)5/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UJPMYEOUBPIPHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -111.3 °C | CAS Common Chemistry |
| Name | 1,1,1-Trifluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.5686000000000002 | RDKit |
| Molar Refractivity | 11.729000000000003 | RDKit |
