O=C(O)C1CC=C(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1
SMILES: O=C(O)C1CC=C(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1

Molecular Processing

Molecular formula
C15H17F9O2
Molecular weight
400.28
Exact mass
400.1085
XLogP
5.83
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
72.42

Supplementary Information

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