Back to Search
Molecule
1233Xf
CAS: 2730-62-3 · C3H2ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2730-62-3
- Molecular Formula
- C3H2ClF3
- Molecular Mass
- 130.50 g/mol
Identifiers
CAS Registry Number
2730-62-3
SMILES
C=C(Cl)C(F)(F)F
InChI Key
OQISUJXQFPPARX-UHFFFAOYSA-N
InChI
InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2
Names and Synonyms
- 1233Xf Systematic Name
- 1-Propene, 2-chloro-3,3,3-trifluoro- Synonym
- 2-Chloro-3,3,3-trifluoropropylene Synonym
- Propene, 2-chloro-3,3,3-trifluoro- Synonym
- 2-Chloro-3,3,3-trifluoro-1-propene Synonym
- 2-Chloro-3,3,3-trifluoropropene Synonym
- HFCO 1233xf Synonym
- HCFO 1233xf Synonym
- HCFC 1233xf Synonym
- 1233xf Synonym
- R 1233xf Synonym
- HCO 1233xf Synonym
- 2-Chloro-1,1,1-trifluoro-2-propene Synonym
- 3,3,3-Trifluoro-2-chloropropene Synonym
- HFO 1233xf Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.50 g/mol | CAS Common Chemistry |
| 130.496 g/mol | RDKit | |
| 130.493 g/mol | chempirical lib | |
| Boiling Point | 14-15 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OQISUJXQFPPARX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1233xf | 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 | 2.3011999999999997 | RDKit |
| 2.3012 | RDKit | |
| 2.49 | chempirical lib | |
| Molar Refractivity | 21.048 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 129.979712404 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 130.50 g/mol. Edit any field — others recompute live.
