Chemical ID: 6366034

CCC(C)NC(=O)c1c(c(c(c(c1F)F)F)F)F
Chemical ID:
6366034
Name [?]:
2,3,4,5,6-pentafluoro-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1c(c(c(c(c1F)F)F)F)F
InChi [?]:
InChI=1/C11H10F5NO/c1-3-4(2)17-11(18)5-6(12)8(14)10(16)9(15)7(5)13/h4H,3H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,8,9,13,10,12,11,6,18,14,17,15,16,5,7/E:(6,7)(8,9)(12,13)(14,15)/rA:18cCCCCNCOCCCCCCFFFFF/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s12;s11;s10;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F5NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:3.57992
Area:397.601
Solvation:-6.3601
Coulombic:-33.372
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.195
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.47
LogP (Chemaxon):2.87

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