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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 Mass:
116.47 g/mol
Names and Synonyms:
Chlorotrifluoroethylene
Ethene, 1-chloro-1,2,2-trifluoro-
Ethylene, chlorotrifluoro-
Ethene, chlorotrifluoro-
1-Chloro-1,2,2-trifluoroethene
Chlorotrifluoroethylene
Genetron 1113
Monochlorotrifluoroethylene
Trifluorochloroethylene
Trifluoromonochloroethylene
Trifluorovinyl chloride
Trithene
Chlorotrifluoroethene
1-Chloro-1,2,2-trifluoroethylene
2-Chloro-1,1,2-trifluoroethylene
Trifluorochloroethene
F 1113
R 1113
2-Chloro-1,1,2-trifluoroethene
CFC 1113
CFO 1113
HCFO 1113
Identifiers:
SMILES:
FC(F)=C(F)Cl
InChI:
InChI=1S/C2ClF3/c3-1(4)2(5)6
Key Properties
Boiling Point
-27.9 °C
CAS Common Chemistry
Melting Point
-158.2 °C
CAS Common Chemistry
Density
1.30 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.47 g/mol | CAS Common Chemistry |
| 116.46900000000001 g/mol | RDKit | |
| 115.96406234 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorotrifluoroethylene | CAS Common Chemistry |
| Boiling Point | -27.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2ClF3/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -158.2 °C | CAS Common Chemistry |
| Name | Chlorotrifluoroethylene | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.2603 | RDKit |
| Molar Refractivity | 16.203000000000003 | RDKit |
