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Molecule
2-Chloro-1,1,1-Trifluoroethane
CAS: 75-88-7 · C2H2ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-88-7
- Molecular Formula
- C2H2ClF3
- Molecular Mass
- 118.49 g/mol
Identifiers
CAS Registry Number
75-88-7
SMILES
FC(F)(F)CCl
InChI Key
CYXIKYKBLDZZNW-UHFFFAOYSA-N
InChI
InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
Names and Synonyms
- 2-Chloro-1,1,1-Trifluoroethane Systematic Name
- Ethane, 2-chloro-1,1,1-trifluoro- Synonym
- 2-Chloro-1,1,1-trifluoroethane Synonym
- 1,1,1-Trifluoroethyl chloride Synonym
- Genetron 133a Synonym
- 1-Chloro-2,2,2-trifluoroethane Synonym
- 1,1,1-Trifluoro-2-chloroethane Synonym
- R 133a Synonym
- 2,2,2-Trifluorochloroethane Synonym
- FC 133a Synonym
- Freon 133a Synonym
- 2,2,2-Trifluoroethyl chloride Synonym
- 1,1,1-Trifluorochloroethane Synonym
- (Chloromethyl)trifluoromethane Synonym
- HCFC 133a Synonym
- F 133a Synonym
- Forane 133a Synonym
- 2,2,2-Trifluoro-1-chloroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.49 g/mol | CAS Common Chemistry |
| 118.48500000000001 g/mol | RDKit | |
| 118.485 g/mol | RDKit | |
| 118.482 g/mol | chempirical lib | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.389 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Chloro-1,1,1-trifluoroethane | CAS Common Chemistry |
| Boiling Point | 6.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CYXIKYKBLDZZNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -105.3 °C | CAS Common Chemistry |
| Name | 2-Chloro-1,1,1-trifluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 1.7874999999999999 | RDKit |
| 1.7875 | RDKit | |
| Molar Refractivity | 16.775 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 117.979712404 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 118.49 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
