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Chemical ID: 7121278
Chemical ID:
7121278
Name [?]:
(2,5-difluorophenyl)methyl-(2-methoxy-1-methyl-ethyl)-ammonium
SMILES [?]:
CC(COC)[NH2+]Cc1cc(ccc1F)F
InChi [?]:
InChI=1/C11H15F2NO/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,11,12,9,7,3,2,8,10,13,15,14,6,4/rA:15cCCCOCN+CCCCCCCFF/rB:s1;s2;s3;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16F2NO+ |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -25.5124 |
Area: | 387.842 |
Solvation: | -35.2085 |
Coulombic: | 20.3718 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 216.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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