Home Other Building Blocks 2,4,4-trifluorocyclohexan-1-one

2,4,4-trifluorocyclohexan-1-one

CAS No.:
2059955-76-7
Catalog Number:
AG01C0NO
Molecular Formula:
C6H7F3O
Molecular Weight:
152.1144
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Product Description
Catalog Number:
AG01C0NO
Chemical Name:
2,4,4-trifluorocyclohexan-1-one
CAS Number:
2059955-76-7
Molecular Formula:
C6H7F3O
Molecular Weight:
152.1144
MDL Number:
MFCD30498112
IUPAC Name:
2,4,4-trifluorocyclohexan-1-one
InChI:
InChI=1S/C6H7F3O/c7-4-3-6(8,9)2-1-5(4)10/h4H,1-3H2
InChI Key:
OJBFFBILNCCTEQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1F)(F)F
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.045g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.116g/mol
Monoisotopic Mass:
152.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties