Chemical ID: 4120109

c1cc(ccc1C(=NO)N)OC(F)(F)F
Chemical ID:
4120109
Name [?]:
amino-[4-(trifluoromethoxy)phenyl]-methanone oxime
SMILES [?]:
c1cc(ccc1C(=NO)N)OC(F)(F)F
InChi [?]:
InChI=1/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,12,13,14,15,10,8,9,11/E:(1,2)(3,4)(9,10,11)/rA:15nCCCCCCCNONOCFFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s7;s3;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7F3N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.66626
Area:346.08
Solvation:-1.98574
Coulombic:-62.9703
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:220.149
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):1.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue