CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(C(F)(F)F)O
Name: 4-[4-(5-decoxypyrimidin-2-yl)phenyl]-1,1,1-trifluorobut-3-en-2-ol
SMILES: CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(C(F)(F)F)O

Molecular Processing

Molecular formula
C24H31F3N2O2
Molecular weight
436.52
Exact mass
436.2338
XLogP
6.6
TPSA
55.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
116.67

Supplementary Information

InChIKey: NDYCUSUKEAZHBN-UHFFFAOYSA-N
Synonyms
(-)-2-(4-(3-hydroxy-4,4,4-trifluoro-1-butenyl)phenyl)-5-decyloxypyrimidineSCHEMBL7785283(-)-2-(4-(3-hydroxy-4,4,4-trifluoro-1-butenyl) phenyl)-5-decyloxypyrimidine
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Involved in 5 reactions→

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