Chemical ID: 7087239

Cc1cc(nn1C(=O)c2ccccc2)C(F)(F)F
Chemical ID:
7087239
Name [?]:
[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-phenyl-methanone
SMILES [?]:
Cc1cc(nn1C(=O)c2ccccc2)C(F)(F)F
InChi [?]:
InChI=1/C12H9F3N2O/c1-8-7-10(12(13,14)15)16-17(8)11(18)9-5-3-2-4-6-9/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,3,2,9,4,7,15,16,17,18,5,6,8/E:(3,4)(5,6)(13,14,15)/rA:18nCCCCNNCOCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s4;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9F3N2O
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.80102
Area:393.697
Solvation:-2.04141
Coulombic:-36.6809
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.208
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.16
LogP (Chemaxon):2.93

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