Home Other Building Blocks 1-[4-(trifluoromethyl)phenyl]butan-2-one

1-[4-(trifluoromethyl)phenyl]butan-2-one

CAS No.:
1248106-81-1
Catalog Number:
AG01B53C
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
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Product Description
Catalog Number:
AG01B53C
Chemical Name:
1-[4-(trifluoromethyl)phenyl]butan-2-one
CAS Number:
1248106-81-1
Molecular Formula:
C11H11F3O
Molecular Weight:
216.1996
MDL Number:
MFCD16807725
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]butan-2-one
InChI:
InChI=1S/C11H11F3O/c1-2-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3
InChI Key:
CIHXVWXJECTSLZ-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.203g/mol
Monoisotopic Mass:
216.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties