Chemical ID: 7197280

c1c(n(nc1C(F)(F)F)CCC(=O)[O-])C2CC2
Chemical ID:
7197280
Name [?]:
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILES [?]:
c1c(n(nc1C(F)(F)F)CCC(=O)[O-])C2CC2
InChi [?]:
InChI=1/C10H11F3N2O2/c11-10(12,13)8-5-7(6-1-2-6)15(14-8)4-3-9(16)17/h5-6H,1-4H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:16,17,11,10,1,15,2,5,12,6,7,8,9,4,3,13,14/E:(1,2)(11,12,13)(16,17)/rA:17nCCNNCCFFFCCCOO-CCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;d12;s12;s2;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10F3N2O2-
All Atoms:27
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-33.6249
Area:407.066
Solvation:-43.8015
Coulombic:-22.8376
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.194
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.94
LogP (Chemaxon):1.71

Name Annotations

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Descriptor Annotations

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