Chemical ID: 4732656

c1cc(ccc1C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(cc3)C(F)(F)F)F
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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