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Chlorotrifluoroethylene
CAS: 79-38-9 | C2ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-38-9
Molecular Formula:
C2ClF3
Molecular Weight:
116.46900000000001 g/mol
Names and Synonyms:
Chlorotrifluoroethylene
HCFO 1113
CFO 1113
CFC 1113
2-Chloro-1,1,2-trifluoroethene
R 1113
F 1113
Trifluorochloroethene
2-Chloro-1,1,2-trifluoroethylene
1-Chloro-1,2,2-trifluoroethylene
Chlorotrifluoroethene
Trithene
Trifluorovinyl chloride
Trifluoromonochloroethylene
Trifluorochloroethylene
Monochlorotrifluoroethylene
Genetron 1113
Chlorotrifluoroethylene
1-Chloro-1,2,2-trifluoroethene
Ethene, chlorotrifluoro-
Ethylene, chlorotrifluoro-
Ethene, 1-chloro-1,2,2-trifluoro-
Identifiers:
SMILES:
FC(F)=C(F)Cl
InChI:
InChI=1S/C2ClF3/c3-1(4)2(5)6
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 | 116.47 g/mol | Legacy Database |
| density | 1.30 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorotrifluoroethylene None | Legacy Database |
| cas-boiling-point | -27.9 °C None | Legacy Database |
| cas-canonical-smile | FC(F)=C(F)Cl None | Legacy Database |
| cas-density | 1.3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2ClF3/c3-1(4)2(5)6 None | Legacy Database |
| cas-inchi-key | InChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -158.2 °C None | Legacy Database |
| cas-name | Chlorotrifluoroethylene None | Legacy Database |
| wikipedia-name | Chlorotrifluoroethylene None | Legacy Database |
| LogP | 2.2603 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.46900000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.96406234 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 | 16.203000000000003 | RDKit |
