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Chemical ID: 4732656
Chemical ID:
4732656
Name [?]:
[4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-(trifluoromethyl)benzoate
SMILES [?]:
c1cc(ccc1C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(cc3)C(F)(F)F)F
InChi [?]:
InChI=1/C23H14F4O3/c24-19-10-1-15(2-11-19)3-14-21(28)16-6-12-20(13-7-16)30-22(29)17-4-8-18(9-5-17)23(25,26)27/h1-14H
InChi Info:
AuxInfo=1/0/N:1,5,7,21,25,12,16,22,24,2,4,13,15,8,6,11,20,23,3,14,9,18,26,30,27,28,29,10,19,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(25,26,27)/rA:30nCCCCCCCCCOCCCCCCOCOCCCCCCCFFFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s26;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H14F4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5842 |
Area: | 605.245 |
Solvation: | -4.54697 |
Coulombic: | -53.0398 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.44 |
LogP (Chemaxon): | 6.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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