Chemical ID: 7194917

c1cc(oc1COc2c(c(cc(c2F)F)F)F)C(=O)[O-]
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

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Descriptor Annotations

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