6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one - CAS 104204-91-3

Name: 6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001354
Product Name:	6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one
CAS:	104204-91-3
Synonyms:	6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one; 6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one

Technical Data

IUPAC Name:	6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one
Description:	6-Fluoro-1-isopropyl-3,4-dihydronaphthalen-2(1H)-one (CAS# 104204-91-3) is a useful research chemical compound.
Molecular Weight:	206.26
Molecular Formula:	C13H15FO
Canonical SMILES:	CC(C)C1C(=O)CCC2=C1C=CC(=C2)F
InChI:	InChI=1S/C13H15FO/c1-8(2)13-11-5-4-10(14)7-9(11)3-6-12(13)15/h4-5,7-8,13H,3,6H2,1-2H3
InChI Key:	DEGWMPOIXJTKLT-UHFFFAOYSA-N
Storage:	Sealed in dry, Store in freezer, under -20 °C
LogP:	3.08060

Publication Number	Title	Priority Date
WO-2013036434-A1	Tetrahydronaphthalene derivatives as t-type calcium channel blocker	20110907
EP-3144296-A1	Deuterated tetrahydronaphthalene derivatives	20100302
US-2011237635-A1	Tetrahydronaphthalene derivatives	20100302
US-2012122944-A1	Tetrahydronaphthalene derivatives	20100302
US-2014155444-A1	Tetrahydronaphthalene derivatives	20100302

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.11069326
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.11069326
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1