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Molecule
Ethene, 1-Chloro-2-Fluoro-
CAS: 460-16-2 · C2H2ClF
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 460-16-2
- Molecular Formula
- C2H2ClF
- Molecular Mass
- 80.49 g/mol
Identifiers
CAS Registry Number
460-16-2
SMILES
FC=CCl
InChI Key
MTKHTBWXSHYCGS-UHFFFAOYSA-N
InChI
InChI=1S/C2H2ClF/c3-1-2-4/h1-2H
Names and Synonyms
- Ethene, 1-Chloro-2-Fluoro- Systematic Name
- Ethene, 1-chloro-2-fluoro- Synonym
- Ethylene, 1-chloro-2-fluoro- Synonym
- 1-Chloro-2-fluoroethylene Synonym
- 1-Fluoro-2-chloroethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.49 g/mol | CAS Common Chemistry |
| 80.489 g/mol | RDKit | |
| 80.486 g/mol | chempirical lib | |
| Boiling Point | 10-12 °C | CAS Common Chemistry |
| Canonical SMILES | FC=CCl | CAS Common Chemistry |
| InChI | InChI=1S/C2H2ClF/c3-1-2-4/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=MTKHTBWXSHYCGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethene, 1-chloro-2-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 | 1.6659000000000002 | RDKit |
| 1.6659 | RDKit | |
| 1.52 | chempirical lib | |
| Molar Refractivity | 16.101 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 79.982905964 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
80
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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
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MW = 80.49 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H2ClF.
