Chemical ID: 5620022

CC1(CC(=O)C(C(=O)C1)C(c2ccccc2F)C3C(=O)CC(CC3=O)(C)C)C
Chemical ID:
5620022
Name [?]:
2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(2-fluorophenyl)-methyl]-5,5-dimethyl-cyclohexane-1,3-dione
SMILES [?]:
CC1(CC(=O)C(C(=O)C1)C(c2ccccc2F)C3C(=O)CC(CC3=O)(C)C)C
InChi [?]:
InChI=1/C23H27FO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-7-5-6-8-14(13)24)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,26,27,13,14,12,15,3,9,21,23,11,16,4,7,19,24,10,6,18,2,22,17,5,8,20,25/E:(1,2,3,4)(9,10,11,12)(15,16,17,18)(20,21)(22,23)(25,26,27,28)/rA:28nCCCCOCCOCCCCCCCCFCCOCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s2s7;s6;s10;s11;d12;s13;d14;d11s15;s16;s10;s18;d19;s19;s21;s22;s18s23;d24;s22;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27FO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.32948
Area:518.456
Solvation:-5.63193
Coulombic:-31.6784
Bond Count [?]
All:30
Single:23
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:386.456
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.42
LogP (Chemaxon):5.72

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Descriptor Annotations

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