Back to Search
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 Weight:
130.496 g/mol
Names and Synonyms:
1233Xf
HFO 1233xf
3,3,3-Trifluoro-2-chloropropene
2-Chloro-1,1,1-trifluoro-2-propene
HCO 1233xf
R 1233xf
1233xf
HCFC 1233xf
HCFO 1233xf
HFCO 1233xf
2-Chloro-3,3,3-trifluoropropene
2-Chloro-3,3,3-trifluoro-1-propene
Propene, 2-chloro-3,3,3-trifluoro-
2-Chloro-3,3,3-trifluoropropylene
1-Propene, 2-chloro-3,3,3-trifluoro-
Identifiers:
SMILES:
C=C(Cl)C(F)(F)F
InChI:
InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 130.50 g/mol | Legacy Database |
| cas-boiling-point | 14-15 °C None | Legacy Database |
| cas-canonical-smile | FC(F)(F)C(Cl)=C None | Legacy Database |
| cas-inchi | InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OQISUJXQFPPARX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1233xf None | Legacy Database |
| LogP | 2.3011999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.496 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.979712404 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.048 | RDKit |
