O=C1CCC(C(F)(F)F)CC1
名称: 4-trifluoromethyl cyclohexanone
SMILES: O=C1CCC(C(F)(F)F)CC1

Molecular Processing

Molecular formula
C7H9F3O
Molecular weight
166.14
Exact mass
166.0605
XLogP
2.31
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
33.02

Supplementary Information

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