Back to Search
Molecule
1,2-Dichloro-2-Fluoropropane
CAS: 420-97-3 · C3H5Cl2F
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 420-97-3
- Molecular Formula
- C3H5Cl2F
- Molecular Mass
- 130.98 g/mol
Identifiers
CAS Registry Number
420-97-3
SMILES
CC(F)(Cl)CCl
InChI Key
OTKOPXLUNRNYCD-UHFFFAOYSA-N
InChI
InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3
Names and Synonyms
- 1,2-Dichloro-2-Fluoropropane Systematic Name
- Propane, 1,2-dichloro-2-fluoro- Synonym
- 1,2-Dichloro-2-fluoropropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.98 g/mol | CAS Common Chemistry |
| 130.977 g/mol | RDKit | |
| 130.971 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.2618 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 88.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)(C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OTKOPXLUNRNYCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -91.7 °C | CAS Common Chemistry |
| Name | 1,2-Dichloro-2-fluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.1497 | RDKit |
| Molar Refractivity | 26.085999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.97523374 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 130.98 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
