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Chemical ID: 6299555
Chemical ID:
6299555
Name [?]:
1-[(2,3-difluorophenyl)methyl]piperazine
SMILES [?]:
c1cc(c(c(c1)F)F)CN2CCNCC2
InChi [?]:
InChI=1/C11H14F2N2/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,14,11,15,9,3,5,4,7,8,13,10/E:(4,5)(6,7)/rA:15nCCCCCCFFCNCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14F2N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76718 |
Area: | 361.315 |
Solvation: | -3.26571 |
Coulombic: | -21.5587 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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