Home Other Building Blocks 5-(Trifluoromethyl)cyclohexane-1,3-dione

5-(Trifluoromethyl)cyclohexane-1,3-dione

CAS No.:
124612-15-3
Catalog Number:
AG000MGO
Molecular Formula:
C7H7F3O2
Molecular Weight:
180.1245
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$427
- +
5g
97%
1 week
United States
$1357
- +
Product Description
Catalog Number:
AG000MGO
Chemical Name:
5-(Trifluoromethyl)cyclohexane-1,3-dione
CAS Number:
124612-15-3
Molecular Formula:
C7H7F3O2
Molecular Weight:
180.1245
MDL Number:
MFCD16616592
IUPAC Name:
5-(trifluoromethyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C7H7F3O2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h4H,1-3H2
InChI Key:
RECFBOFLRZHLSU-UHFFFAOYSA-N
SMILES:
FC(C1CC(=O)CC(=O)C1)(F)F
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.126g/mol
Monoisotopic Mass:
180.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Novel fluorinated acridone derivatives. Part 1: synthesis and evaluation as potential anticancer agents. Bioorganic & medicinal chemistry letters 20080715
Properties