Chemical ID: 4746355

c1cc(ccc1C(=O)CCC(=O)c2ccc(cc2)F)F
Chemical ID:
4746355
Name [?]:
1,4-bis(4-fluorophenyl)butane-1,4-dione
SMILES [?]:
c1cc(ccc1C(=O)CCC(=O)c2ccc(cc2)F)F
InChi [?]:
InChI=1/C16H12F2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,5,14,18,2,4,15,17,9,10,6,13,3,16,7,11,20,19,8,12/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCOCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12F2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.1458
Area:462.87
Solvation:-4.42596
Coulombic:-23.7191
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.262
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):2.95

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