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N-Ethylperfluorooctanesulfonamidoethanol
CAS: 1691-99-2 | C12H10F17NO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1691-99-2
Molecular Formula:
C12H10F17NO3S
Molecular Mass:
571.25 g/mol
Names and Synonyms:
N-Ethylperfluorooctanesulfonamidoethanol
1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-
N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-1-octanesulfonamide
N-Ethylperfluorooctanesulfonamidoethyl alcohol
N-Ethyl-N-(2-hydroxyethyl)perfluorooctanesulfonamide
N-Ethylperfluorooctanesulfonamidoethanol
AI 3-29782
FC 10
Fluorad FC 10
2-[N-Ethyl-N-(perfluorooctylsulfonyl)amino]ethanol
2-Perfluorooctylsulfonyl-N-ethylaminoethyl alcohol
LE 011
N-Ethylheptadecafluorooctanesulfonamidoethanol
N-EtFOSE
2-(N-Ethylperfluoro-1-octanesulfonamido)ethanol
Identifiers:
SMILES:
CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3
Key Properties
Boiling Point
130-135 °C @ Press: 0.07 Torr
CAS Common Chemistry
Melting Point
67-74 °C
CAS Common Chemistry
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 | 571.25 g/mol | CAS Common Chemistry |
| 571.2490000000001 g/mol | RDKit | |
| 571.01099392 g/mol | RDKit | |
| Boiling Point | 130-135 °C @ Press: 0.07 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(N(CC)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUFHNYZNTFSKCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67-74 °C | CAS Common Chemistry |
| Name | N-Ethylperfluorooctanesulfonamidoethanol | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| LogP | 4.597300000000002 | RDKit |
| Molar Refractivity | 73.93659999999998 | RDKit |
