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Molecule
2,2-Difluoro-1,3-Dimethylimidazolidine
CAS: 220405-40-3 · C5H10F2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 220405-40-3
- Molecular Formula
- C5H10F2N2
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
220405-40-3
SMILES
CN1CCN(C)C1(F)F
InChI Key
MGDCBOKBTJIJBT-UHFFFAOYSA-N
InChI
InChI=1S/C5H10F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H2,1-2H3
Names and Synonyms
- 2,2-Difluoro-1,3-Dimethylimidazolidine Systematic Name
- Imidazolidine, 2,2-difluoro-1,3-dimethyl- Synonym
- 2,2-Difluoro-1,3-dimethylimidazolidine Synonym
- 2,2-Difluoro-1,3-dimethylimidazoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.14499999999998 g/mol | RDKit | |
| 136.145 g/mol | RDKit | |
| Canonical SMILES | FC1(F)N(C)CCN1C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MGDCBOKBTJIJBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Difluoro-1,3-dimethylimidazolidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 0.41390000000000005 | RDKit |
| 0.4139 | RDKit | |
| Molar Refractivity | 30.206999999999987 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.08120476 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.
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MW = 136.15 g/mol. Edit any field — others recompute live.
