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Molecule
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
Identifiers
CAS Registry Number
762-51-6
SMILES
FCCI
InChI Key
LVYJIIRJQDEGBR-UHFFFAOYSA-N
InChI
InChI=1S/C2H4FI/c3-1-2-4/h1-2H2
Names and Synonyms
- Ethane, 1-Fluoro-2-Iodo- Systematic Name
- Ethane, 1-fluoro-2-iodo- Synonym
- 1-Iodo-2-fluoroethane Synonym
- 1-Fluoro-2-iodoethane Synonym
- 2-Iodoethyl fluoride Synonym
- 2-Fluoroethyl iodide Synonym
- 2-Fluoro-1-iodoethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.96 g/mol | CAS Common Chemistry |
| 173.956 g/mol | RDKit | |
| Density | 2.14 g/cm³ | CAS Common Chemistry |
| 2.136 g/cm3 @ 25 °C | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 173.934176348 g/mol | RDKit |
| Boiling Point | 98-102 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 173.96 g/mol; density = 2.140 g/mL. Edit any field — others recompute live.
