Detail:
[ Properties Computed from Structure]
|
Molecular Weight
|
141.92781 [g/mol]
|
|
Molecular Formula
|
C4H10BF3O
|
|
H-Bond Donor
|
0
|
|
H-Bond Acceptor
|
4
|
|
Rotatable Bond Count
|
2
|
|
Exact Mass
|
142.07768
|
|
MonoIsotopic Mass
|
142.07768
|
|
Topological Polar Surface Area
|
9.2
|
|
Heavy Atom Count
|
9
|
|
Formal Charge
|
0
|
|
Complexity
|
40
|
|
Isotope Atom Count
|
0
|
|
Defined Atom StereoCenter Count
|
0
|
|
Undefined Atom StereoCenter Count
|
0
|
|
Defined Bond StereoCenter Count
|
0
|
|
Undefined Bond StereoCenter Count
|
0
|
|
Covalently-Bonded Unit Count
|
2
|
[ Descriptors Computed from Structure]
IUPAC Name: ethoxyethane; trifluoroborane
Canonical SMILES: B(F)(F)F.CCOCC
InChI: InChI=1/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;
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