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Chemical ID: 6366034
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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