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Ethene, 1-Chloro-1-Fluoro-
CAS: 2317-91-1 | C2H2ClF
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2317-91-1
Molecular Formula:
C2H2ClF
Molecular Mass:
80.49 g/mol
Names and Synonyms:
Ethene, 1-Chloro-1-Fluoro-
Ethene, 1-chloro-1-fluoro-
Ethylene, 1-chloro-1-fluoro-
1-Chloro-1-fluoroethylene
1-Chloro-1-fluoroethene
1-Fluoro-1-chloroethylene
F 1131a
HCFC 1131a
R 1131a
HCFO 1131a
Identifiers:
SMILES:
C=C(F)Cl
InChI:
InChI=1S/C2H2ClF/c1-2(3)4/h1H2
Key Properties
Boiling Point
-12-10 °C
CAS Common Chemistry
Density
2.62 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 | 80.49 g/mol | CAS Common Chemistry |
| 80.489 g/mol | RDKit | |
| 79.982905964 g/mol | RDKit | |
| Density | 2.62 g/cm³ | CAS Common Chemistry |
| 2.618 g/cm3 | CAS Common Chemistry | |
| Boiling Point | -12-10 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)=C | CAS Common Chemistry |
| InChI | InChI=1S/C2H2ClF/c1-2(3)4/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FPBWSPZHCJXUBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethene, 1-chloro-1-fluoro- | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | 1.6659 | RDKit |
| Molar Refractivity | 16.101 | RDKit |
