Chemical ID: 7121278

CC(COC)[NH2+]Cc1cc(ccc1F)F
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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