Home Other Building Blocks 3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol

3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol

CAS No.:
1486088-93-0
Catalog Number:
AG01B902
Molecular Formula:
C13H17F3O
Molecular Weight:
246.2687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B902
Chemical Name:
3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol
CAS Number:
1486088-93-0
Molecular Formula:
C13H17F3O
Molecular Weight:
246.2687
MDL Number:
MFCD18547440
IUPAC Name:
3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol
InChI:
InChI=1S/C13H17F3O/c1-12(2,3)11(17)8-9-6-4-5-7-10(9)13(14,15)16/h4-7,11,17H,8H2,1-3H3
InChI Key:
KKZHSSOVWLWXPR-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)Cc1ccccc1C(F)(F)F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.123g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.273g/mol
Monoisotopic Mass:
246.123g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties