Back to Search
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 Weight:
136.14499999999998 g/mol
Names and Synonyms:
2,2-Difluoro-1,3-Dimethylimidazolidine
2,2-Difluoro-1,3-dimethylimidazoline
2,2-Difluoro-1,3-dimethylimidazolidine
Imidazolidine, 2,2-difluoro-1,3-dimethyl-
Identifiers:
SMILES:
CN1CCN(C)C1(F)F
InChI:
InChI=1S/C5H10F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 136.15 g/mol | Legacy Database |
| cas-canonical-smile | FC1(F)N(C)CCN1C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MGDCBOKBTJIJBT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,2-Difluoro-1,3-dimethylimidazolidine None | Legacy Database |
| LogP | 0.41390000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.14499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.08120476 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.206999999999987 | RDKit |
