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Chemical ID: 6377914
Chemical ID:
6377914
Name [?]:
N-(1-adamantyl)-2,3,4,5,6-pentafluoro-benzamide
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)NC(=O)c4c(c(c(c(c4F)F)F)F)F
InChi [?]:
InChI=1/C17H16F5NO/c18-11-10(12(19)14(21)15(22)13(11)20)16(24)23-17-4-7-1-8(5-17)3-9(2-7)6-17/h7-9H,1-6H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,7,10,2,6,4,14,15,19,16,18,17,12,8,24,20,23,21,22,11,13/E:(1,2,3)(4,5,6)(7,8,9)(11,12)(13,14)(18,19)(20,21)/rA:24nCCCCCCCCCCNCOCCCCCCFFFFF/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s18;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16F5NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.93082 |
Area: | 450.339 |
Solvation: | -6.32766 |
Coulombic: | -33.8607 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 345.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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