Home Other Building Blocks 1,1,1-trifluoro-4-methoxy-2-methylbutan-2-ol

1,1,1-trifluoro-4-methoxy-2-methylbutan-2-ol

CAS No.:
1248603-13-5
Catalog Number:
AG019RW6
Molecular Formula:
C6H11F3O2
Molecular Weight:
172.1455
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Product Description
Catalog Number:
AG019RW6
Chemical Name:
1,1,1-trifluoro-4-methoxy-2-methylbutan-2-ol
CAS Number:
1248603-13-5
Molecular Formula:
C6H11F3O2
Molecular Weight:
172.1455
MDL Number:
MFCD16127864
IUPAC Name:
1,1,1-trifluoro-4-methoxy-2-methylbutan-2-ol
InChI:
InChI=1S/C6H11F3O2/c1-5(10,3-4-11-2)6(7,8)9/h10H,3-4H2,1-2H3
InChI Key:
XRKHOTDQNSSCMK-UHFFFAOYSA-N
SMILES:
COCCC(C(F)(F)F)(O)C
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.071g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.147g/mol
Monoisotopic Mass:
172.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties