2-Buten-1-ol, 4,4,4-trifluoro-


Chemical Name: 2-Buten-1-ol, 4,4,4-trifluoro-
CAS Number: 674-53-3
Product Number: AG00FBAS(AGN-PC-08YJ07)
Synonyms:
MDL No:
Molecular Formula: C4H5F3O
Molecular Weight: 126.0771096

Identification/Properties


Computed Properties
Molecular Weight:
126.078g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
126.029g/mol
Monoisotopic Mass:
126.029g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
83.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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