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Molecule
1,1,1-Trifluoroethane
CAS: 420-46-2 · C2H3F3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 420-46-2
- Molecular Formula
- C2H3F3
- Molecular Mass
- 84.04 g/mol
Identifiers
CAS Registry Number
420-46-2
SMILES
CC(F)(F)F
InChI Key
UJPMYEOUBPIPHQ-UHFFFAOYSA-N
InChI
InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
Names and Synonyms
- 1,1,1-Trifluoroethane Systematic Name
- Ethane, 1,1,1-trifluoro- Synonym
- 1,1,1-Trifluoroethane Synonym
- Methylfluoroform Synonym
- R 143a Synonym
- FC 143a Synonym
- HFC 143a Synonym
- CFC 143A Synonym
- F 143A Synonym
- HCF 143a Synonym
- HCFC 143a Synonym
- Fron 143a Synonym
- TG 143a Synonym
- HFA 143a Synonym
- Freon 143a Synonym
- HFO 143a Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.04 g/mol | CAS Common Chemistry |
| 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 |
| 1.5686 | RDKit | |
| Molar Refractivity | 11.729000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 84.018684756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 84.04 g/mol. Edit any field — others recompute live.
