Chemical ID: 6476518

Cc1cc2c(n1c3ccc(c(c3)C(F)(F)F)F)CC(CC2=O)(C)C
Chemical ID:
6476518
Name [?]:
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILES [?]:
Cc1cc2c(n1c3ccc(c(c3)C(F)(F)F)F)CC(CC2=O)(C)C
InChi [?]:
InChI=1/C18H17F4NO/c1-10-6-12-15(8-17(2,3)9-16(12)24)23(10)11-4-5-14(19)13(7-11)18(20,21)22/h4-7H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,8,9,3,12,18,20,2,7,4,11,10,5,21,19,13,17,14,15,16,6,22/E:(2,3)(20,21,22)/rA:24nCCCCCNCCCCCCCFFFFCCCCOCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s10;s5;s18;s19;s4s20;d21;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F4NO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.38884
Area:483.312
Solvation:-3.69397
Coulombic:-34.1164
Bond Count [?]
All:26
Single:20
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.327
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.93
LogP (Chemaxon):4.03

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Descriptor Annotations

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