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Molecule
2,3-Dichloro-1,1,1-Trifluoropropane
CAS: 338-75-0 · C3H3Cl2F3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 338-75-0
- Molecular Formula
- C3H3Cl2F3
- Molecular Mass
- 166.96 g/mol
Identifiers
CAS Registry Number
338-75-0
SMILES
FC(F)(F)C(Cl)CCl
InChI Key
QJMGASHUZRHZBT-UHFFFAOYSA-N
InChI
InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2
Names and Synonyms
- 2,3-Dichloro-1,1,1-Trifluoropropane Synonym
- Propane, 2,3-dichloro-1,1,1-trifluoro- Synonym
- 2,3-Dichloro-1,1,1-trifluoropropane Synonym
- R 243db Synonym
- 1,2-Dichloro-3,3,3-trifluoropropane Synonym
- 1,1,1-Trifluoro-2,3-dichloropropane Synonym
- HCFC 243db Synonym
- HCFO 243db Synonym
- HFO 1234db Synonym
- 243db Synonym
- 2,3-Dichloro-1,1,1-fluoropropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.96 g/mol | CAS Common Chemistry |
| 166.957 g/mol | RDKit | |
| 166.951 g/mol | chempirical lib | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.4310 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 76.7 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QJMGASHUZRHZBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dichloro-1,1,1-trifluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 2.3949000000000007 | RDKit |
| 2.3949 | RDKit | |
| Molar Refractivity | 26.415999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 165.956390116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
External Resources
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MW = 166.96 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
