Back to Search
Molecule
Ethane, 1,1-Difluoro-2-Iodo-
CAS: 598-39-0 · C2H3F2I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 598-39-0
- Molecular Formula
- C2H3F2I
- Molecular Mass
- 191.95 g/mol
Identifiers
CAS Registry Number
598-39-0
SMILES
FC(F)CI
InChI Key
VMFCTZUYOILUMY-UHFFFAOYSA-N
InChI
InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2
Names and Synonyms
- Ethane, 1,1-Difluoro-2-Iodo- Synonym
- Ethane, 1,1-difluoro-2-iodo- Synonym
- 1,1-Difluoro-2-iodoethane Synonym
- 2,2-Difluoroethyl iodide Synonym
- 1-Iodo-2,2-difluoroethane Synonym
- 2-Iodo-1,1-difluoroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.95 g/mol | CAS Common Chemistry |
| 191.946 g/mol | RDKit | |
| Density | 2.18 g/cm³ | CAS Common Chemistry |
| 2.18 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | FC(F)CI | CAS Common Chemistry |
| InChI | InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VMFCTZUYOILUMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethane, 1,1-difluoro-2-iodo- | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.6864999999999999 | RDKit |
| 1.6865 | RDKit | |
| Molar Refractivity | 24.890999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 191.924754536 g/mol | RDKit |
| Boiling Point | 86.8-87.1 °C @ 740 Torr | CAS Common Chemistry |
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 = 191.95 g/mol; density = 2.180 g/mL. Edit any field — others recompute live.
