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1,1,1-trifluorooctan-2-one

1,1,1-trifluorooctan-2-one structure

CAS No:
400-60-2
Formula:
C8H13F3O
Chemical Name:
1,1,1-trifluorooctan-2-one
Synonyms:
1,1,1-trifluorooctan-2-one;1,1,1-Trifluoro-2-octanone;400-60-2;2-Octanone, 1,1,1-trifluoro-;CHEMBL90719;Trifluoromethyl hexyl ketone;Hexyl trifluoromethyl ketone;SCHEMBL810234;1,1,1-Trifluoro-octan-2-one;DTXSID60193063;NSC42758;ZINC1675551;BDBM50073976;NSC 42758;NSC-42758;AKOS005107855;MCULE-5256218582;MS-2375;DS-013516

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1,1,1-trifluorooctan-2-one Basic Attributes

Molecular Weight：

182.18 g/mol

Exact Mass：

182.09184952 g/mol

NSC Number：

42758

DSSTox ID：

DTXSID60193063

Characteristics

PSA：

17.1 Å²

Computed Properties

Molecular Weight:182.18
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:182.09184952
Monoisotopic Mass:182.09184952
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1,1-trifluorooctan-2-one

Basic Attributes
Characteristics
Computed Properties

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