 Home > Encyclopedia > 1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one

1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one

1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one structure

CAS No:
95639-15-9
Formula:
C9F18O
Chemical Name:
1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one
Synonyms:
95639-15-9;Perfluoro 2,4-dimethylheptan-3-one;1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one;DTXSID40338657;1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)-3-heptanone #

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1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one Basic Attributes

Molecular Weight：

466.07 g/mol

Exact Mass：

465.9661715 g/mol

DSSTox ID：

DTXSID40338657

Characteristics

PSA：

17.1 Å²

1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:466.07
XLogP3:6.2
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:4
Exact Mass:465.9661715
Monoisotopic Mass:465.9661715
Topological Polar Surface Area:17.1
Heavy Atom Count:28
Complexity:587
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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