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Fluoxetine

CAT: 0127-BUP15705-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP15705-05Size:1 g
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CAS Number
54910-89-3
Synonyms
LY-110140
Purity
=98%
Smiles
CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1

Chemical Information

Fluoxetine

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is an aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. It is an aromatic ether, a secondary amino compound and a member of (trifluoromethyl)benzenes.

CAS Number54910-89-3
PubChem CID3386
IUPAC NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Molecular FormulaC17H18F3NO
Molecular Weight309.33
XLogP4
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity308
SMILES
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
InChIKey
RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluoxetine
CAS: 54910-89-3
CID: 3386
Formula: C17H18F3NO
MW: 309.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.33
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass309.13404868
Monoisotopic Mass309.13404868
Topological Polar Surface Area21.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B0102-01Fluoxetine
A2436-5.1Fluoxetine HCl
HY-B0102SFluoxetine-d6
CS-T-77119Fluoxetine-d5

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