2-(4-fluorophenyl)pyrrolidine - CAS 72216-06-9

Catalog:	BB034573
Product Name:	2-(4-fluorophenyl)pyrrolidine
CAS:	72216-06-9
Synonyms:	2-(4-fluorophenyl)pyrrolidine; 2-(4-fluorophenyl)pyrrolidine

Technical Data

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Computed Properties

IUPAC Name:	2-(4-fluorophenyl)pyrrolidine
Description:	2-(4-fluorophenyl)pyrrolidine (CAS# 72216-06-9) is a useful research chemical.
Molecular Weight:	165.21
Molecular Formula:	C10H12FN
Canonical SMILES:	C1CC(NC1)C2=CC=C(C=C2)F
InChI:	InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChI Key:	ZDCXMSDSTZZWAX-UHFFFAOYSA-N
Boiling Point:	235.5 °C at 760 mmHg
Density:	1.078 g/cm³
Appearance:	Red to brown liquid
MDL:	MFCD02663411
LogP:	2.57900

Publication Number	Title	Priority Date
WO-2020190119-A1	Heteroaryl derivative, method for producing same, and pharmaceutical composition comprising same as effective component	20190319
WO-2020114499-A1	Tyrosine kinase inhibitors, compositions and methods there of	20181207
WO-2020108500-A1	Histone acetylase p300 inhibitor and use thereof	20181127
US-2018346451-A1	Trk inhibition	20170531
US-10738033-B2	Trk inhibition	20170531

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.095377549
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.095377549
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9