Nom: 3-[4-(methylamino)cyclohexyl]prop-2-ynyl methanesulfonate;2,2,2-trifluoroacetic acid
SMILES:
CNC1CCC(CC1)C#CCOS(=O)(=O)C.C(=O)(C(F)(F)F)OMolecular Processing
Molecular formula
C13H20F3NO5S
Molecular weight
359.37
Exact mass
359.1014
XLogP
1.38
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.769
Molar refractivity
77.07
Supplementary Information
InChIKey: UDMDZNJBCOIBEK-UHFFFAOYSA-N
Synonymes
trans-Methanesulfonic acid 3-(4-methylamino-cyclohexyl)-prop-2-ynyl ester trifluoroacetate
Impliqué dans 4 réactions→