Chemical ID: 4116246

COc1ccc(cc1)Oc2ccc(cc2N)C(F)(F)F
Chemical ID:
4116246
Name [?]:
2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline
SMILES [?]:
COc1ccc(cc1)Oc2ccc(cc2N)C(F)(F)F
InChi [?]:
InChI=1/C14H12F3NO2/c1-19-10-3-5-11(6-4-10)20-13-7-2-9(8-12(13)18)14(15,16)17/h2-8H,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,4,8,5,7,11,14,13,3,6,15,10,17,18,19,20,16,2,9/E:(3,4)(5,6)(15,16,17)/rA:20nCOCCCCCCOCCCCCCNCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s15;s13;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12F3NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.99964
Area:435.252
Solvation:-3.88165
Coulombic:-50.4113
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.246
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):3.32

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