Detail:
Properties Computed from Structure
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Molecular Weight
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112.88989 [g/mol]
|
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Molecular Formula
|
C2H7BF3N
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H-Bond Donor
|
1
|
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H-Bond Acceptor
|
4
|
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Rotatable Bond Count
|
0
|
|
Exact Mass
|
113.062364
|
|
MonoIsotopic Mass
|
113.062364
|
|
Topological Polar Surface Area
|
26
|
|
Heavy Atom Count
|
7
|
|
Formal Charge
|
0
|
|
Complexity
|
10.8
|
|
Isotope Atom Count
|
0
|
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Defined Atom StereoCenter Count
|
0
|
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Undefined Atom StereoCenter Count
|
0
|
|
Defined Bond StereoCenter Count
|
0
|
|
Undefined Bond StereoCenter Count
|
0
|
|
Covalently-Bonded Unit Count
|
2
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Descriptors Computed from Structure
IUPAC Name: ethanamine; trifluoroborane
Canonical SMILES: B(F)(F)F.CCN
InChI: InChI=1/C2H7N.BF3/c1-2-3;2-1(3)4/h2-3H2,1H3;
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