Chemical ID: 7189566

CC(C(=O)OC)n1c(cc(n1)C(F)(F)F)C2CC2
Chemical ID:
7189566
Name [?]:
methyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILES [?]:
CC(C(=O)OC)n1c(cc(n1)C(F)(F)F)C2CC2
InChi [?]:
InChI=1/C11H13F3N2O2/c1-6(10(17)18-2)16-8(7-3-4-7)5-9(15-16)11(12,13)14/h5-7H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,17,18,9,2,16,8,10,3,12,13,14,15,11,7,4,5/E:(3,4)(12,13,14)/rA:18cCCCOOCNCCCNCFFFCCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s9;s7d10;s10;s12;s12;s12;s8;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13F3N2O2
All Atoms:31
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.34037
Area:425.145
Solvation:-3.28825
Coulombic:-42.6568
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:262.228
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.11
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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