Chemical ID: 7196351

COC(=O)c1ccn(n1)COc2cccc(c2)C(F)(F)F
Chemical ID:
7196351
Name [?]:
methyl 1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylate
SMILES [?]:
COC(=O)c1ccn(n1)COc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H11F3N2O3/c1-20-12(19)11-5-6-18(17-11)8-21-10-4-2-3-9(7-10)13(14,15)16/h2-7H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,6,7,17,10,16,12,5,3,18,19,20,21,9,8,4,2,11/E:(14,15,16)/rA:21nCOCOCCCNNCOCCCCCCCFFF/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11F3N2O3
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.79918
Area:475.481
Solvation:-4.08785
Coulombic:-51.5816
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.233
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.13

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Descriptor Annotations

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