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N,N-Diethyl-1,1-Dimethyl-1-(2,3,4,5,6-Pentafluorophenyl)Silanamine
CAS: 55485-74-0 | C12H16F5NSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55485-74-0
Molecular Formula:
C12H16F5NSi
Molecular Mass:
297.34 g/mol
Names and Synonyms:
N,N-Diethyl-1,1-Dimethyl-1-(2,3,4,5,6-Pentafluorophenyl)Silanamine
Silanamine, N,N-diethyl-1,1-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)-
Silanamine, N,N-diethyl-1,1-dimethyl-1-(pentafluorophenyl)-
N,N-Diethyl-1,1-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)silanamine
Flophemesyldiethylamine
Identifiers:
SMILES:
CCN(CC)[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChI:
InChI=1S/C12H16F5NSi/c1-5-18(6-2)19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H2,1-4H3
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 | 297.34 g/mol | CAS Common Chemistry |
| 297.34299999999996 g/mol | RDKit | |
| 297.097217142 g/mol | RDKit | |
| Canonical SMILES | FC=1C(F)=C(F)C(=C(F)C1F)[Si](N(CC)CC)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16F5NSi/c1-5-18(6-2)19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBVPABKIRWOTNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyl-1,1-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)silanamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 3.136000000000002 | RDKit |
| Molar Refractivity | 66.26900000000002 | RDKit |
