Chemical ID: 6179987

c1cc(ccc1C=CC(=O)C=Cc2ccc(cc2)F)F
Chemical ID:
6179987
Name [?]:
1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one
SMILES [?]:
c1cc(ccc1C=CC(=O)C=Cc2ccc(cc2)F)F
InChi [?]:
InChI=1/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,5,14,18,7,12,2,4,15,17,8,11,6,13,3,16,9,20,19,10/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(18,19)/rA:20nCCCCCCCCCOCCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12F2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.74211
Area:429.229
Solvation:-3.98861
Coulombic:-17.6934
Bond Count [?]
All:21
Single:12
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:270.273
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.44
LogP (Chemaxon):4.8

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