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1,1,1-trifluorooct-3-yn-2-one

1,1,1-trifluorooct-3-yn-2-one structure

CAS No:
105439-85-8
Formula:
C8H9F3O
Chemical Name:
1,1,1-trifluorooct-3-yn-2-one
Synonyms:
1,1,1-Trifluoro-3-octyn-2-one; 1-trifluoromethyl-1-oxo-hept-2-yne; 1-trifluoroacetyl-1-hexyne; 3-Octyn-2-one,1,1,1-trifluoro;

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1,1,1-trifluorooct-3-yn-2-one Basic Attributes

Molecular Weight：

178.15200

Exact Mass：

178.06054939 g/mol

DSSTox ID：

DTXSID10147132

Characteristics

PSA：

17.07000

XLogP3：

2.31140

Density：

1.131g/cm3

Boiling Point：

139.2ºC at 760mmHg

Flash Point：

37.1ºC

Refractive Index：

1.393

Vapor Pressure：

6.49mmHg at 25°C

Computed Properties

Molecular Weight:178.15
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:178.06054939
Monoisotopic Mass:178.06054939
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1,1-trifluorooct-3-yn-2-one

Basic Attributes
Characteristics
Computed Properties

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