Chemical Properties of Fluvoxamine, carboxylic acid, methylated, acetylated

Fluvoxamine, carboxylic acid, methylated, acetylated

InChI
InChI=1S/C17H21F3N2O4/c1-12(23)21-10-11-26-22-15(4-3-5-16(24)25-2)13-6-8-14(9-7-13)17(18,19)20/h6-9H,3-5,10-11H2,1-2H3,(H,21,23)/b22-15+
InChI Key
RXQJTXRHXFFNIW-PXLXIMEGSA-N
Formula
C17H21F3N2O4
SMILES
COC(=O)CCCC(=NOCCNC(C)=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
374.35
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.9435 Relay (1.0) Calculated Property
ΔfG° -651.50 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1193.44 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.72 kJ/mol Relay (1.0) Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -3.31 Relay (1.0) Calculated Property
logPoct/wat 2.905 Crippen Calculated Property
McVol 262.480 ml/mol McGowan Calculated Property
Pc 1429.38 kPa Joback Calculated Property
Inp 2355.00 NIST
Tboil 649.09 K Relay (1.0) Calculated Property
Tc 850.22 K Relay (1.0) Calculated Property
Tfus 377.18 K Relay (1.0) Calculated Property
Vc 0.942 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Fluvoxamine, acetyl. Fluvoxamine. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate. (-)-Bunolol methoxime, PFB-TMS. Naloxone. Oxycodone, trimethylsilyl ether. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Moexipril Me. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Oxycodone. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Moexipril desethyl 3Me (Moexprilate 3Me). Oxymorphone. Naloxone, bis(trimethylsilyl) ether.

Find more compounds similar to Fluvoxamine, carboxylic acid, methylated, acetylated.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.