CCC(CC(C=O)(C(F)(F)F)O)C1=C(C(=C(C=C1)F)C)OC
名称: 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexanal
SMILES: CCC(CC(C=O)(C(F)(F)F)O)C1=C(C(=C(C=C1)F)C)OC

Molecular Processing

Molecular formula
C15H18F4O3
Molecular weight
322.3
Exact mass
322.1192
XLogP
3.52
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
72.41

Supplementary Information

InChIKey: UNDJOHHXXJEABE-UHFFFAOYSA-N
同義語
4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexanalSCHEMBL1260445
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