ChemDB: Chemical Search
Download
Chemical ID: 5210736
Chemical ID:
5210736
Name [?]:
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxysulfanyloxy)ethane
SMILES [?]:
C(C(F)(F)F)OSOCC(F)(F)F
InChi [?]:
InChI=1/C4H4F6O2S/c5-3(6,7)1-11-13-12-2-4(8,9)10/h1-2H2
InChi Info:
AuxInfo=1/0/N:1,9,2,10,3,4,5,11,12,13,6,8,7/E:(1,2)(3,4)(5,6,7,8,9,10)(11,12)/rA:13nCCFFFOSOCCFFF/rB:s1;s2;s2;s2;s1;s6;s7;s8;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H4F6O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.58953 |
Area: | 327.909 |
Solvation: | -5.60819 |
Coulombic: | -45.2692 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.13 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|