CCCC(F)(F)C(O)CCC[C@H]1[C@H](C)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC
Name: alcohol
SMILES: CCCC(F)(F)C(O)CCC[C@H]1[C@H](C)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC

Molecular Processing

Molecular formula
C22H36F2O4
Molecular weight
402.52
Exact mass
402.2582
XLogP
5.08
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
105.1

Supplementary Information

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