2-Pentanone, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-


Chemical Name: 2-Pentanone, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-
CAS Number: 10487-10-2
Product Number: AG007G4M(AGN-PC-0JPDBV)
Synonyms:
MDL No:
Molecular Formula: C6H6F6O2
Molecular Weight: 224.1011

Identification/Properties


Computed Properties
Molecular Weight:
224.102g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
224.027g/mol
Monoisotopic Mass:
224.027g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
214
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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