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Molecule
2,2-Dichloro-1,1,1-Trifluoroethane
CAS: 306-83-2 · C2HCl2F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 306-83-2
- Molecular Formula
- C2HCl2F3
- Molecular Mass
- 152.93 g/mol
Identifiers
CAS Registry Number
306-83-2
SMILES
FC(F)(F)C(Cl)Cl
InChI Key
OHMHBGPWCHTMQE-UHFFFAOYSA-N
InChI
InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
Names and Synonyms
- 2,2-Dichloro-1,1,1-Trifluoroethane Synonym
- Ethane, 2,2-dichloro-1,1,1-trifluoro- Synonym
- 2,2-Dichloro-1,1,1-trifluoroethane Synonym
- 1,1-Dichloro-2,2,2-trifluoroethane Synonym
- 1,1,1-Trifluoro-2,2-dichloroethane Synonym
- Dichloro(trifluoromethyl)methane Synonym
- R 123 Synonym
- Freon 123 Synonym
- 1,1,1-Trifluorodichloroethane Synonym
- FC 123 Synonym
- CFC 123 Synonym
- Fron 123 Synonym
- HCFC 123 Synonym
- F 123 Synonym
- HFA 123 Synonym
- Solkane 123 Synonym
- F 123 (halocarbon) Synonym
- Khladon 123 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.93 g/mol | CAS Common Chemistry |
| 152.924 g/mol | chempirical lib | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.4638 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2-Dichloro-1,1,1-trifluoroethane | CAS Common Chemistry |
| Boiling Point | 27.82 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=OHMHBGPWCHTMQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -107 °C | CAS Common Chemistry |
| Name | 2,2-Dichloro-1,1,1-trifluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 2.3524000000000003 | RDKit |
| 2.3524 | RDKit | |
| Molar Refractivity | 21.548999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.940740052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
External Resources
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MW = 152.93 g/mol; density = 1.460 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2HCl2F3.
