Chemical ID: 3992371

COCCOc1ccc(cc1N)C(F)(F)F
Chemical ID:
3992371
Name [?]:
2-(2-methoxyethoxy)-5-(trifluoromethyl)aniline
SMILES [?]:
COCCOc1ccc(cc1N)C(F)(F)F
InChi [?]:
InChI=1/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(6-8(9)14)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,3,4,10,9,11,6,13,14,15,16,12,2,5/E:(11,12,13)/rA:16nCOCCOCCCCCCNCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12F3NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.80163
Area:392.124
Solvation:-5.00148
Coulombic:-49.554
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.203
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.86
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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