Home Other Building Blocks 1,1,1-trifluoro-3-methoxybutan-2-ol, Mixture of diastereomers

1,1,1-trifluoro-3-methoxybutan-2-ol, Mixture of diastereomers

CAS No.:
1861967-76-1
Catalog Number:
AG01C0EL
Molecular Formula:
C5H9F3O2
Molecular Weight:
158.1190
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Product Description
Catalog Number:
AG01C0EL
Chemical Name:
1,1,1-trifluoro-3-methoxybutan-2-ol, Mixture of diastereomers
CAS Number:
1861967-76-1
Molecular Formula:
C5H9F3O2
Molecular Weight:
158.1190
MDL Number:
MFCD21873693
IUPAC Name:
1,1,1-trifluoro-3-methoxybutan-2-ol
InChI:
InChI=1S/C5H9F3O2/c1-3(10-2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChI Key:
CDJYXSLXQBWHJZ-UHFFFAOYSA-N
SMILES:
COC(C(C(F)(F)F)O)C
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.055g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.12g/mol
Monoisotopic Mass:
158.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties