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rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone

rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone structure

CAS No:
176894-09-0
Formula:
C27H25F2NO4
Chemical Name:
rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone
Synonyms:
Ethanone,2-[(3R,4S)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)-,rel-;Ethanone,2-[3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)-,trans-;rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone;Omiloxetine

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rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone Basic Attributes

Molecular Weight：

465.48900

Exact Mass：

465.49

DSSTox ID：

DTXSID30170205

Characteristics

PSA：

48.00000

XLogP3：

4.99880

Density：

1.265g/cm3

Boiling Point：

587.2ºC at 760 mmHg

Flash Point：

308.9ºC

Refractive Index：

1.58

Vapor Pressure：

9.08E-14mmHg at 25°C

Computed Properties

Molecular Weight:465.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:465.17516460
Monoisotopic Mass:465.17516460
Topological Polar Surface Area:48
Heavy Atom Count:34
Complexity:665
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: iodate; aluminum hydroxide formula; ammonium formate; ammonium carbonate formula; formaldehyde structure; dinitrogen tetroxide formula

Guide of rel-2-[(3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinyl]-1-(4-fluorophenyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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