 Home > Encyclopedia > 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride

4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride

4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride structure

CAS No:
15997-72-5
Formula:
C18H25ClFNO
Chemical Name:
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride
Synonyms:
Butyrophenone,4'-fluoro-4-hexahydroisoindolinyl-,hydrochloride; p-Fluoro-(4-hexahydroisoindolinyl)butyrophenone hydrochloride; 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride;

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4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride Basic Attributes

Molecular Weight：

325.84900

Exact Mass：

325.1608703 g/mol

Characteristics

PSA：

20.31000

XLogP3：

4.65050

Boiling Point：

415.6ºC

Flash Point：

205.2ºC

Vapor Pressure：

4.07E-07mmHg at 25°C

Computed Properties

Molecular Weight:325.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:325.1608703
Monoisotopic Mass:325.1608703
Topological Polar Surface Area:20.3
Heavy Atom Count:22
Complexity:337
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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