Chemical Properties of Fluvoxamine (CAS 54739-18-3)

Fluvoxamine

InChI
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3
InChI Key
CJOFXWAVKWHTFT-UHFFFAOYSA-N
Formula
C15H21F3N2O2
SMILES
COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1
Molecular Weight1
318.33
CAS
54739-18-3
Other Names
  • 5-Methoxy-4'-(trifluoromethyl)valerophenone (E)-O-(2-aminoethyl)oxime
  • 1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime, (E)-
  • Fluvoxamina
  • 61718-82-9
  • 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-
  • (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone, O-(2-aminoethyl)oxime
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Physical Properties

Property Value Unit Source
ω 0.8739 Relay (1.0) Calculated Property
ΔfG° -428.70 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -813.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 83.11 kJ/mol Relay (1.0) Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -3.33 Relay (1.0) Calculated Property
logPoct/wat 3.202 Crippen Calculated Property
McVol 231.160 ml/mol McGowan Calculated Property
Pc 1556.12 kPa Joback Calculated Property
Tboil 618.33 K Relay (1.0) Calculated Property
Tc 792.01 K Relay (1.0) Calculated Property
Tfus 355.10 K Relay (1.0) Calculated Property
Vc 0.824 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Fluvoxamine, acetyl. Fluvoxamine, carboxylic acid, methylated, acetylated. Jacozine. (-)-Bunolol methoxime, PFB-TMS. 11-Ketoestradiol (enol), TMS. (R)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol. «alpha»-Estradiol, bis(tert-butyldimethylsilyl) ether. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Moexipril Me. Mucronatinine. Oxycodone.

Find more compounds similar to Fluvoxamine.

Sources

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