Chemical ID: 7196953

CCn1c(cc(n1)C(F)(F)F)C(=O)[O-]
Chemical ID:
7196953
Name [?]:
2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylate
SMILES [?]:
CCn1c(cc(n1)C(F)(F)F)C(=O)[O-]
InChi [?]:
InChI=1/C7H7F3N2O2/c1-2-12-4(6(13)14)3-5(11-12)7(8,9)10/h3H,2H2,1H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,12,8,9,10,11,7,3,13,14/E:(8,9,10)(13,14)/rA:14nCCNCCCNCFFFCOO-/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;s8;s8;s4;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6F3N2O2-
All Atoms:20
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-32.0174
Area:335.504
Solvation:-40.405
Coulombic:-28.7852
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.13
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.01
LogP (Chemaxon):1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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