Name: 2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-3(2H,4H)-1,2,4-triazolone
SMILES:
O=c1[nH]cnn1-c1ccc(OCC(F)(F)C(F)(F)F)cc1Molecular Processing
Molecular formula
C11H8F5N3O2
Molecular weight
309.19
Exact mass
309.0537
XLogP
2.14
TPSA
59.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.68
Supplementary Information
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Involved in 3 reactions→