(5S)-(−)-5-(Trifluoromethyl)-2-pyrrolidinone - CAS 1287211-10-2

Catalog:	BB006925
Product Name:	(5S)-(−)-5-(Trifluoromethyl)-2-pyrrolidinone
CAS:	1287211-10-2
Synonyms:	(5S)-5-(trifluoromethyl)pyrrolidin-2-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	(5S)-5-(trifluoromethyl)pyrrolidin-2-one
Description:	(5S)-(−)-5-(Trifluoromethyl)-2-pyrrolidinone (CAS# 1287211-10-2) is a useful research chemical.
Molecular Weight:	153.10
Molecular Formula:	C5H6F3NO
Canonical SMILES:	C1CC(=O)NC1C(F)(F)F
InChI:	InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m0/s1
InChI Key:	BKONNPBZAYHNOV-VKHMYHEASA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD22566326
LogP:	1.15610

Publication Number	Title	Priority Date
EP-3670512-A1	Diazabicyclooctanones as inhibitors of serine beta-lactamases	20181218
CN-111107848-A	Pharmaceutical composition containing amide derivatives, and preparation method and application thereof	20180810
WO-2020030107-A1	Pharmaceutical composition containing amide derivatives, preparation method therefor, and application thereof	20180810
EP-3608318-A1	Diaazabicyclooctanone derivatives as antibacterials	20180809
WO-2020030761-A1	Diazabicyclooctanones as inhibitors of serine beta-lactamases	20180809

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	153.04014830
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.04014830
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8