Chemical ID: 6377914

C1C2CC3CC1CC(C2)(C3)NC(=O)c4c(c(c(c(c4F)F)F)F)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue