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Chemical ID: 6353344
Chemical ID:
6353344
Name [?]:
2,3,4,5,6-pentafluoro-N-(4-fluorophenyl)-benzamide
SMILES [?]:
c1cc(ccc1NC(=O)c2c(c(c(c(c2F)F)F)F)F)F
InChi [?]:
InChI=1/C13H5F6NO/c14-5-1-3-6(4-2-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,3,6,10,11,15,12,14,13,8,21,20,16,19,17,18,7,9/E:(1,2)(3,4)(8,9)(10,11)(15,16)(17,18)/rA:21nCCCCCCNCOCCCCCCFFFFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s14;s13;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H5F6NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.77834 |
Area: | 417.261 |
Solvation: | -7.65319 |
Coulombic: | -35.9553 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 305.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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