Home Other Building Blocks 5,5-difluoropentan-2-one

5,5-difluoropentan-2-one

CAS No.:
1536730-94-5
Catalog Number:
AG01C0FE
Molecular Formula:
C5H8F2O
Molecular Weight:
122.1132
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Product Description
Catalog Number:
AG01C0FE
Chemical Name:
5,5-difluoropentan-2-one
CAS Number:
1536730-94-5
Molecular Formula:
C5H8F2O
Molecular Weight:
122.1132
MDL Number:
MFCD21923294
IUPAC Name:
5,5-difluoropentan-2-one
InChI:
InChI=1S/C5H8F2O/c1-4(8)2-3-5(6)7/h5H,2-3H2,1H3
InChI Key:
DQIKUJQMKMSQMO-UHFFFAOYSA-N
SMILES:
FC(CCC(=O)C)F
Properties
Complexity:
80.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.054g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.115g/mol
Monoisotopic Mass:
122.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties