O=c1[nH]c(=O)n(CCCO)cc1C(F)(F)F
Name: 1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILES: O=c1[nH]c(=O)n(CCCO)cc1C(F)(F)F

Molecular Processing

Molecular formula
C8H9F3N2O3
Molecular weight
238.16
Exact mass
238.0565
XLogP
-0.06
TPSA
75.09
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
48.03

Supplementary Information

InChIKey: UASMWVIXLKYQDC-UHFFFAOYSA-N
Synonyme
1-(3-Hydroxy-propyl)-5-trifluoromethyl-1H-pyrimidine-2,4-dioneSCHEMBL3561793
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