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Chemical ID: 4115341
Chemical ID:
4115341
Name [?]:
(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
SMILES [?]:
C(=O)(C(F)(F)F)OC(=O)C(F)(F)F
InChi [?]:
InChI=1/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChi Info:
AuxInfo=1/0/N:1,8,3,10,4,5,6,11,12,13,2,9,7/E:(1,2)(3,4)(5,6,7,8,9,10)(11,12)/rA:13nCOCFFFOCOCFFF/rB:d1;s1;s3;s3;s3;s1;s7;d8;s8;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4F6O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.35693 |
Area: | 292.19 |
Solvation: | -2.94782 |
Coulombic: | -70.9902 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 210.031 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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