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Molecule
Fluoroiodomethane
CAS: 373-53-5 · CH2FI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 373-53-5
- Molecular Formula
- CH2FI
- Molecular Mass
- 159.93 g/mol
Identifiers
CAS Registry Number
373-53-5
SMILES
FCI
InChI Key
XGVXNTVBGYLJIR-UHFFFAOYSA-N
InChI
InChI=1S/CH2FI/c2-1-3/h1H2
Names and Synonyms
- Fluoroiodomethane Common Name
- Methane, fluoroiodo- Synonym
- Fluoroiodomethane Synonym
- Fluoroiodomethane (CH2FI) Synonym
- Fluoromethyl iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.93 g/mol | CAS Common Chemistry |
| 159.929 g/mol | RDKit | |
| Density | 2.37 g/cm³ | CAS Common Chemistry |
| 2.366 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluoroiodomethane | CAS Common Chemistry |
| Boiling Point | 53.4 °C | CAS Common Chemistry |
| Canonical SMILES | FCI | CAS Common Chemistry |
| InChI | InChI=1S/CH2FI/c2-1-3/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XGVXNTVBGYLJIR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methane, fluoroiodo- | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.3484 | RDKit |
| Molar Refractivity | 19.994999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 159.918526284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 159.93 g/mol; density = 2.370 g/mL. Edit any field — others recompute live.
