1-(3-Fluorophenyl)cyclopentanecarbonitrile - CAS 214262-90-5

Catalog:	BB016836
Product Name:	1-(3-Fluorophenyl)cyclopentanecarbonitrile
CAS:	214262-90-5
Synonyms:	1-(3-fluorophenyl)-1-cyclopentanecarbonitrile; 1-(3-fluorophenyl)cyclopentane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-(3-fluorophenyl)cyclopentane-1-carbonitrile
Description:	1-(3-Fluorophenyl)cyclopentanecarbonitrile (CAS# 214262-90-5 ) is a useful research chemical.
Molecular Weight:	189.23
Molecular Formula:	C12H12FN
Canonical SMILES:	C1CCC(C1)(C#N)C2=CC(=CC=C2)F
InChI:	InChI=1S/C12H12FN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChI Key:	GJLHAOFLBRWFJM-UHFFFAOYSA-N
Boiling Point:	312.5 °C at 760 mmHg
Density:	1.12 g/cm³
MDL:	MFCD00800614
LogP:	3.16108

Publication Number	Title	Priority Date
EP-2094677-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
EP-2094677-B1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
US-2010144709-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
US-7960556-B2	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122
WO-2008061781-A1	Thiadiazole derivatives for the treatment of neuro-degenerative diseases	20061122

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.095377549
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.095377549
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1