Chemical ID: 6368601

c1ccc(c(c1)N2CCN(CC2)C(=O)C(Cl)(Cl)Cl)F
Chemical ID:
6368601
Name [?]:
2,2,2-trichloro-1-[4-(2-fluorophenyl)piperazin-1-yl]-ethanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)C(Cl)(Cl)Cl)F
InChi [?]:
InChI=1/C12H12Cl3FN2O/c13-12(14,15)11(19)18-7-5-17(6-8-18)10-4-2-1-3-9(10)16/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,8,12,9,11,4,5,13,15,16,17,18,19,7,10,14/E:(5,6)(7,8)(13,14,15)/rA:19nCCCCCCNCCNCCCOCClClClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12Cl3FN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.58269
Area:462.53
Solvation:-2.98056
Coulombic:-32.1
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.593
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.93
LogP (Chemaxon):3.23

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