Chemical ID: 7197272

c1c(n(nc1C(F)(F)F)CC(=O)[O-])C2CC2
Chemical ID:
7197272
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)[O-])C2CC2
InChi [?]:
InChI=1/C9H9F3N2O2/c10-9(11,12)7-3-6(5-1-2-5)14(13-7)4-8(15)16/h3,5H,1-2,4H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:15,16,1,10,14,2,5,11,6,7,8,9,4,3,12,13/E:(1,2)(10,11,12)(15,16)/rA:16nCCNNCCFFFCCOO-CCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;d11;s11;s2;s14;s14s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8F3N2O2-
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-34.5377
Area:376.578
Solvation:-43.9522
Coulombic:-23.8577
Bond Count [?]
All:17
Single:14
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.167
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.78
LogP (Chemaxon):1.53

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