Chemical ID: 4521089

CCOC(=O)Cn1c(cc(n1)C(F)(F)F)C
Chemical ID:
4521089
Name [?]:
ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILES [?]:
CCOC(=O)Cn1c(cc(n1)C(F)(F)F)C
InChi [?]:
InChI=1/C9H11F3N2O2/c1-3-16-8(15)5-14-6(2)4-7(13-14)9(10,11)12/h4H,3,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,9,6,8,10,4,12,13,14,15,11,7,5,3/E:(10,11,12)/rA:16nCCOCOCNCCCNCFFFC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;s7d10;s10;s12;s12;s12;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11F3N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.58614
Area:394.023
Solvation:-3.26444
Coulombic:-41.8616
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.191
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.8
LogP (Chemaxon):1.53

Name Annotations

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Descriptor Annotations

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