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Chemical ID: 4116246
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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