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Ethane, 1-Fluoro-2-Iodo-
CAS: 762-51-6 | C2H4FI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
762-51-6
Molecular Formula:
C2H4FI
Molecular Mass:
173.96 g/mol
Names and Synonyms:
Ethane, 1-Fluoro-2-Iodo-
Ethane, 1-fluoro-2-iodo-
1-Iodo-2-fluoroethane
1-Fluoro-2-iodoethane
2-Iodoethyl fluoride
2-Fluoroethyl iodide
2-Fluoro-1-iodoethane
Identifiers:
SMILES:
FCCI
InChI:
InChI=1S/C2H4FI/c3-1-2-4/h1-2H2
Key Properties
Boiling Point
98-102 °C @ Press: 760 Torr
CAS Common Chemistry
Density
2.14 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 | 173.96 g/mol | CAS Common Chemistry |
| 173.956 g/mol | RDKit | |
| 173.934176348 g/mol | RDKit | |
| Density | 2.14 g/cm³ | CAS Common Chemistry |
| 2.136 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 98-102 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | FCCI | CAS Common Chemistry |
| InChI | InChI=1S/C2H4FI/c3-1-2-4/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LVYJIIRJQDEGBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethane, 1-fluoro-2-iodo- | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | 1.3909 | RDKit |
| Molar Refractivity | 24.861999999999995 | RDKit |
