Chemical ID: 6650900

CC(CC(=O)c1ccc(cc1)c2ccc(cc2F)F)C(=O)O
Chemical ID:
6650900
Name [?]:
4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoic acid
SMILES [?]:
CC(CC(=O)c1ccc(cc1)c2ccc(cc2F)F)C(=O)O
InChi [?]:
InChI=1/C17H14F2O3/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,10,7,11,14,13,3,16,2,9,6,15,12,17,4,20,19,18,5,21,22/E:(2,3)(4,5)(21,22)/rA:22cCCCCOCCCCCCCCCCCCFFCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;d12s16;s17;s15;s2;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.82261
Area:489.109
Solvation:-4.40511
Coulombic:-42.0188
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.288
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.67

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Descriptor Annotations

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