1-(4-Fluorophenyl)pyrrolidin-3-one - CAS 536742-69-5

Catalog:	BB028316
Product Name:	1-(4-Fluorophenyl)pyrrolidin-3-one
CAS:	536742-69-5
Synonyms:	1-(4-fluorophenyl)pyrrolidin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-fluorophenyl)pyrrolidin-3-one
Description:	1-(4-Fluorophenyl)pyrrolidin-3-one (CAS# 536742-69-5) is a useful research chemical.
Molecular Weight:	179.19
Molecular Formula:	C10H10FNO
Canonical SMILES:	C1CN(CC1=O)C2=CC=C(C=C2)F
InChI:	InChI=1S/C10H10FNO/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4H,5-7H2
InChI Key:	AJNISUOPOAVWCL-UHFFFAOYSA-N
Boiling Point:	315 °C at 760 mmHg
Density:	1.238 g/cm³
LogP:	1.66990

Publication Number	Title	Priority Date
TW-202010744-A	Pteridinone compounds and uses thereof	20180424
US-2019322673-A1	Pteridinone compounds and uses thereof	20180424
WO-2019209757-A1	Pteridinone compounds and uses thereof	20180424
AU-2019257651-A1	Pteridinone compounds and uses thereof	20180424
CN-112218865-A	Pteridinone compounds and uses thereof	20180424

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Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.074642105
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.074642105
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7