Fluvoxamine

C₁₅H₂₁F₃N₂O₂CAS 54739-18-3318.34 g/mol

Open in Covalent MOL file

Alkyl halide Ether Oxime Primary amine

Properties

Molecular formula: C₁₅H₂₁F₃N₂O₂
Molar mass: 318.34 g/mol
Exact mass: 318.1555 Da
Melting point: 120–121.5 °C
logP: 3.20Crippen estimate
Polar surface area: 56.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 9

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage58.3% of notifiers
H319 Causes serious eye irritation40.3% of notifiers
H331 Toxic if inhaled40.3% of notifiers
H332 Harmful if inhaled58.3% of notifiers
H335 May cause respiratory irritation98.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects98.6% of notifiers

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P391, P403+P233, P405, P501

Identifiers

CAS number

54739-18-3

SMILES

COCCCC/C(=NOCCN)c1ccc(C(F)(F)F)cc1

InChIKey

CJOFXWAVKWHTFT-XSFVSMFZSA-N

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/b20-14+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-

Work with Fluvoxamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fluvoxamine maleate61718-82-9Salt

Similar compounds

5-Methoxy-4'-(trifluoromethyl)valerophenone61718-80-757 % similar 2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-836 % similar Methyl 4-(trifluoromethyl)benzoate2967-66-035 % similar 4-(Trifluoromethyl)benzamide1891-90-333 % similar N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-833 % similar Ethyl 4-trifluoromethylbenzoate583-02-833 % similar p-Trifluoromethylpropiophenone711-33-133 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook