Chemical ID: 6882271

CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c3cccc4c3cccc4)C(F)(F)F
Chemical ID:
6882271
Name [?]:
ethyl 2-[3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c3cccc4c3cccc4)C(F)(F)F
InChi [?]:
InChI=1/C24H17F3O5/c1-2-30-20(28)13-31-15-10-11-18-19(12-15)32-23(24(25,26)27)21(22(18)29)17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,27,26,21,28,22,25,20,9,10,13,6,23,8,24,19,11,12,4,16,17,15,29,30,31,32,5,18,3,7,14/E:(25,26,27)/rA:32nCCOCOCOCCCCCCOCCCOCCCCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s11s16;d17;s16;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;s15;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17F3O5
All Atoms:49
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.94182
Area:622.466
Solvation:-5.61984
Coulombic:-63.1215
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.384
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.78
LogP (Chemaxon):5.17

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Descriptor Annotations

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