C1C(=S)NC(CO1)(CF)C2=CC(=CC=C2)Br
Name: 5-(3-bromophenyl)-5-(fluoromethyl)morpholine-3-thione
SMILES: C1C(=S)NC(CO1)(CF)C2=CC(=CC=C2)Br

Molecular Processing

Molecular formula
C11H11BrFNOS
Molecular weight
304.18
Exact mass
302.9729
XLogP
2.56
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
68.35

Supplementary Information

InChIKey: PMDSAPLZVRNNMS-UHFFFAOYSA-N
Synonyme
SCHEMBL361836PMDSAPLZVRNNMS-UHFFFAOYSA-N5-(3-Bromo-phenyl)-5-fluoromethyl-morpholine-3-thione
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