N-Boc-3-fluorocyclopentanamine - CAS 1215071-14-9

Catalog:	BB005183
Product Name:	N-Boc-3-fluorocyclopentanamine
CAS:	1215071-14-9
Synonyms:	N-(3-fluorocyclopentyl)carbamic acid tert-butyl ester; tert-butyl N-(3-fluorocyclopentyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(3-fluorocyclopentyl)carbamate
Description:	N-Boc-3-fluorocyclopentanamine (CAS# 1215071-14-9) is a useful research chemical.
Molecular Weight:	203.25
Molecular Formula:	C10H18FNO2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC(C1)F
InChI:	InChI=1S/C10H18FNO2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChI Key:	BBJACCZSJXCXSE-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.60610

Publication Number	Title	Priority Date
EP-2220073-A1	Pyridazinone derivatives as parp inhibitors	20071115
EP-2220073-B1	Pyridazinone derivatives as parp inhibitors	20071115
US-2010261709-A1	Pyridazinone derivatives as parp inhibitors	20071115
US-8268827-B2	Pyridazinone derivatives as PARP inhibitors	20071115
WO-2009063244-A1	Pyridazinone derivatives as parp inhibitors	20071115

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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.13215698
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.13215698
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3