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Chemical ID: 7194917
Chemical ID:
7194917
Name [?]:
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylate
SMILES [?]:
c1cc(oc1COc2c(c(cc(c2F)F)F)F)C(=O)[O-]
InChi [?]:
InChI=1/C12H6F4O4/c13-6-3-7(14)10(16)11(9(6)15)19-4-5-1-2-8(20-5)12(17)18/h1-3H,4H2,(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,11,6,5,10,12,3,9,13,8,18,16,15,17,14,19,20,7,4/E:(6,7)(9,10)(13,14)(15,16)(17,18)/rA:20nCCCOCCOCCCCCCFFFFCOO-/rB:s1;d2;s3;d1s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s12;s10;s9;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H5F4O4- |
All Atoms: | 25 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -39.8397 |
Area: | 431.669 |
Solvation: | -50.6314 |
Coulombic: | -26.6351 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.159 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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