Chemical ID: 4120165

c1cc(ccc1C(c2ccc(cc2)[O-])(C(F)(F)F)C(F)(F)F)[O-]
Chemical ID:
4120165
Name [?]:
4-[2,2,2-trifluoro-1-(4-oxidophenyl)-1-(trifluoromethyl)ethyl]phenolate
SMILES [?]:
c1cc(ccc1C(c2ccc(cc2)[O-])(C(F)(F)F)C(F)(F)F)[O-]
InChi [?]:
InChI=1/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H/p-2
InChi Info:
AuxInfo=1/1/N:1,5,9,13,2,4,10,12,6,8,3,11,7,15,19,16,17,18,20,21,22,23,14/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(16,17,18,19,20,21)(22,23)/rA:23nCCCCCCCCCCCCCO-CFFFCFFFO-/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s7;s15;s15;s15;s7;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8F6O2-2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-94.076
Area:432.28
Solvation:-104.883
Coulombic:15.5637
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.213
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.47
LogP (Chemaxon):5.44

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Descriptor Annotations

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