Chemical ID: 7196948

Cc1cc(nn1C(F)F)C(=O)[O-]
Chemical ID:
7196948
Name [?]:
1-(difluoromethyl)-5-methyl-pyrazole-3-carboxylate
SMILES [?]:
Cc1cc(nn1C(F)F)C(=O)[O-]
InChi [?]:
InChI=1/C6H6F2N2O2/c1-3-2-4(5(11)12)9-10(3)6(7)8/h2,6H,1H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,2,4,10,7,8,9,5,6,11,12/E:(7,8)(11,12)/rA:12nCCCCNNCFFCOO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5F2N2O2-
All Atoms:17
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-37.3492
Area:308.072
Solvation:-45.0511
Coulombic:-16.7005
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.113
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.6
LogP (Chemaxon):1.1

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Descriptor Annotations

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