1-(2,2,2-trifluoroacetyl)azetidin-3-one - CAS 1803610-57-2

Catalog:	BB013690
Product Name:	1-(2,2,2-trifluoroacetyl)azetidin-3-one
CAS:	1803610-57-2
Synonyms:	1-(2,2,2-trifluoro-1-oxoethyl)-3-azetidinone; 1-(2,2,2-trifluoroacetyl)azetidin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2,2,2-trifluoroacetyl)azetidin-3-one
Description:	1-(2,2,2-trifluoroacetyl)azetidin-3-one (CAS# 1803610-57-2) is a useful research chemical.
Molecular Weight:	167.087
Molecular Formula:	C5H4F3NO2
Canonical SMILES:	C1C(=O)CN1C(=O)C(F)(F)F
InChI:	InChI=1S/C5H4F3NO2/c6-5(7,8)4(11)9-1-3(10)2-9/h1-2H2
InChI Key:	NWGKTFLTBNWJIJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2019135807-A1	Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same	20171103
US-10800775-B2	Pyrazolyl pyrrolo[2,3-b]pyrmidine-5-carboxylate analogs and methods of making the same	20171103

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Related Functional Groups

Azetidines

[2126161-82-6]
Ethyl 3-methylazetidine-3-carboxylate hydrochloride
[1864803-36-0]
N,1-Di-Boc-3-(4-bromophenyl)-3-azetidinamine
[935669-28-6]
3-Methylazetidine Hydrochloride
[1466515-56-9]
3-Methylazetidine trifluoroacetic acid
[1228230-92-9]
2-Azetidin-3-ylmethyl-pyridine trifluoroacetate
[17557-84-5]
3-Azetidinone hydrochloride

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.01941286
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.01941286
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5