4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-onehydrochloride

4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride

CAS: 31556-12-4

Molecular Formula	`C20H27ClFNO`
Molecular Weight	351.9 g/mol
Topological Polar Surface Area	20.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	351.1765
Heavy Atoms	24
Complexity	417.0

Chemical Identifiers

CAS Number	31556-12-4
SMILES	`C1C2CC3CC1CC(C2)N(C3)CCCC(=O)C4=CC=C(C=C4)F.Cl`
InChIKey	`FJQRCTWHDLSLHP-UHFFFAOYSA-N`

📖 Product Overview

4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-onehydrochloride (CAS: 31556-12-4) is a chemical compound with molecular formula C20H27ClFNO and molecular weight 351.9 g/mol. Its IUPAC systematic name is 4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride. Topological Polar Surface Area 20.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 351.1765 Heavy Atoms 24 Complexity 417.0 InChI Key: FJQRCTWHDLSLHP-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)N(C3)CCCC(=O)C4=CC=C(C=C4)F.Cl.

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