Name: 3,3,3-trifluoro-1-nitroprop-1-ene
SMILES:
O=[N+]([O-])C=CC(F)(F)FMolecular Processing
Molecular formula
C3H2F3NO2
Molecular weight
141.05
Exact mass
141.0038
XLogP
1.34
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
22.19
Supplementary Information
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