Chemical ID: 4682825

c1(c(c(c(c(c1F)F)F)F)F)C(=O)[O-]
Chemical ID:
4682825
Name [?]:
2,3,4,5,6-pentafluorobenzoate
SMILES [?]:
c1(c(c(c(c(c1F)F)F)F)F)C(=O)[O-]
InChi [?]:
InChI=1/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,12,11,7,10,8,9,13,14/E:(2,3)(4,5)(8,9)(10,11)(13,14)/rA:14nCCCCCCFFFFFCOO-/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;s1;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7F5O2-
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-36.4591
Area:297.222
Solvation:-43.8896
Coulombic:-18.0128
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:211.066
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.96
LogP (Chemaxon):2.26

Name Annotations

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Descriptor Annotations

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