5-Fluoro-1,2,3,4-tetrahydronaphthalene - CAS 700-45-8

Catalog:	BB064599
Product Name:	5-Fluoro-1,2,3,4-tetrahydronaphthalene
CAS:	700-45-8
Synonyms:	5-Fluoro-1,2,3,4-tetrahydronaphthalene; Naphthalene, 5-fluoro-1,2,3,4-tetrahydro-; 5-fluoro-1,2,3,4-tetrahydro-naphthalene; 5-Fluoro-1,2,3,4-tetrahydronaphthalene #

Technical Data

IUPAC Name:	5-fluoro-1,2,3,4-tetrahydronaphthalene
Description:	5-Fluoro-1,2,3,4-tetrahydronaphthalene is used in preparation of Sulfonamides as inhibitors of the chemokine receptor CCR8 for the treatment of Eosinophil and Th2-mediated diseases such as asthma, allergic dermatitis, and rheumatoid arthritis.
Molecular Weight:	150.19
Molecular Formula:	C10H11F
Canonical SMILES:	C1CCC2=C(C1)C=CC=C2F
InChI:	InChI=1S/C10H11F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChI Key:	HSYLVNKVCLHAAY-UHFFFAOYSA-N
References:	Dai, M., et al.:U.S. Pat. Appl. Publ., (2005).

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.084478513
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.084478513
Rotatable Bond Count:	0
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4