Name: 3-(2,2,2-Trifluoro-ethylsulfanylmethyl)-pent-1yn-3-ol
SMILES:
C#CC(O)(CC)CSCC(F)(F)FMolecular Processing
Molecular formula
C8H11F3OS
Molecular weight
212.24
Exact mass
212.0483
XLogP
2.06
TPSA
20.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
47.45
Supplementary Information
Details werden geladen…
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