Chemical ID: 4117207

COc1cccc(c1)OC(F)(F)F
Chemical ID:
4117207
Name [?]:
1-methoxy-3-(trifluoromethoxy)benzene
SMILES [?]:
COc1cccc(c1)OC(F)(F)F
InChi [?]:
InChI=1/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,8,3,7,10,11,12,13,2,9/E:(9,10,11)/rA:13nCOCCCCCCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7F3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.63505
Area:312.205
Solvation:-2.17008
Coulombic:-39.9817
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.135
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.1
LogP (Chemaxon):2.45

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Descriptor Annotations

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