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Chemical ID: 7305847
Chemical ID:
7305847
Name [?]:
(3,5-difluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)c3cc(cc(c3)F)F)F
InChi [?]:
InChI=1/C17H15F3N2O/c18-13-9-12(10-14(19)11-13)17(23)22-7-5-21(6-8-22)16-4-2-1-3-15(16)20/h1-4,9-11H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,8,12,9,11,16,20,18,15,17,19,4,5,13,22,21,23,7,10,14/E:(5,6)(7,8)(9,10)(13,14)(18,19)/rA:23nCCCCCCNCCNCCCOCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15F3N2O |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.72366 |
Area: | 479.119 |
Solvation: | -5.25431 |
Coulombic: | -34.1728 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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