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

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

CAS No.:
52776-13-3
Catalog Number:
AG019TFW
Molecular Formula:
C13H13F3O
Molecular Weight:
242.2369
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Product Description
Catalog Number:
AG019TFW
Chemical Name:
2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CAS Number:
52776-13-3
Molecular Formula:
C13H13F3O
Molecular Weight:
242.2369
MDL Number:
MFCD16659587
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
InChI:
InChI=1S/C13H13F3O/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h5-8,11H,1-4H2
InChI Key:
IFKWCRXYZPFPHK-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1ccc(cc1)C(F)(F)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.092g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.241g/mol
Monoisotopic Mass:
242.092g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties