Chemical ID: 7044027

CCC(C)OC(=O)c1c(c(c(c(c1F)F)F)F)F
Chemical ID:
7044027
Name [?]:
sec-butyl 2,3,4,5,6-pentafluorobenzoate
SMILES [?]:
CCC(C)OC(=O)c1c(c(c(c(c1F)F)F)F)F
InChi [?]:
InChI=1/C11H9F5O2/c1-3-4(2)18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,3,8,9,13,10,12,11,6,18,14,17,15,16,7,5/E:(6,7)(8,9)(12,13)(14,15)/rA:18cCCCCOCOCCCCCCFFFFF/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s12;s11;s10;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9F5O2
All Atoms:27
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:3.83903
Area:396.247
Solvation:-6.06714
Coulombic:-31.4165
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.18
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):3.52

Name Annotations

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Descriptor Annotations

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