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5,5,5-TRIFLUORO-4-OXOPENTANOICACID

5,5,5-TRIFLUORO-4-OXOPENTANOICACID structure

CAS No:
684-76-4
Formula:
C5H5F3O3
Chemical Name:
5,5,5-TRIFLUORO-4-OXOPENTANOICACID
Synonyms:
5,5,5-TRIFLUORO-4-OXOPENTANOIC ACID;Pentanoic acid, 5,5,5-trifluoro-4-oxo-;5,5,5-trifluorolevulinic acid;SCHEMBL3440264;CTK5C8055;DTXSID10608531;2-(CHLOROMETHYL)PHENYLACETATE;5,5,5-Trifluoro-4-oxovaleric acid;ZINC21981518;AKOS005259231

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5,5,5-TRIFLUORO-4-OXOPENTANOICACID Basic Attributes

Molecular Weight：

170.087

Exact Mass：

170.019073

DSSTox ID：

DTXSID10608531

HScode：

2918300090

Characteristics

PSA：

54.37000

XLogP3：

0.78

Density：

1.4±0.1 g/cm3

Boiling Point：

213.1±35.0 °C at 760 mmHg

Flash Point：

82.7±25.9 °C

Refractive Index：

1.375

5,5,5-TRIFLUORO-4-OXOPENTANOICACID Use and Manufacturing

5,5,5-Trifluoro-4-oxopentanoic Acid is used in the synthesis of 2’trifluoromethyl analogs of indomethacin which then act as selective COX-2 inhibitors. They also are involved in the synthesis of indo lizine derivatives.

Computed Properties

Molecular Weight:170.09
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:170.01907850
Monoisotopic Mass:170.01907850
Topological Polar Surface Area:54.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,5,5-TRIFLUORO-4-OXOPENTANOICACID

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

5,5,5-TRIFLUORO-4-OXOPENTANOICACID

SDS

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