3-(2-fluorophenyl)pyrrolidine - CAS 885277-79-2

Catalog:	BB038938
Product Name:	3-(2-fluorophenyl)pyrrolidine
CAS:	885277-79-2
Synonyms:	3-(2-fluorophenyl)pyrrolidine; 3-(2-fluorophenyl)pyrrolidine

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Computed Properties

IUPAC Name:	3-(2-fluorophenyl)pyrrolidine
Description:	3-(2-fluorophenyl)pyrrolidine (CAS# 885277-79-2) is a useful research chemical.
Molecular Weight:	165.21
Molecular Formula:	C10H12FN
Canonical SMILES:	C1CNCC1C2=CC=CC=C2F
InChI:	InChI=1S/C10H12FN/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChI Key:	LFPKQKJXQFPLOD-UHFFFAOYSA-N
Purity:	95 %
LogP:	2.23140

Publication Number	Title	Priority Date
US-2017174688-A1	Substituted Indoles	20141218
US-2017349589-A9	Substituted Indoles	20141218
US-9932340-B2	Substituted indoles	20141218
EP-3038466-A1	2,2-difluorodioxolo a2a receptor antagonists	20130829
WO-2015027431-A1	2,2-difluorodioxolo a2a receptor antagonists	20130829

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	149
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:	1.8