chempirical

Fluvoxamine

C15H21F3N2O2CAS 54739-18-3318.34 g/mol

Open in Covalent MOL file
ONOH2NFFF
Alkyl halideEtherOximePrimary amine

Properties

Molecular formula
C15H21F3N2O2
Molar mass
318.34 g/mol
Exact mass
318.1555 Da
logP
3.20Crippen estimate
Polar surface area
56.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
9

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+

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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

Similar compounds

Fluvoxamine maleate61718-82-979 % similar 5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone61718-80-757 % similar 4-(Trifluoromethyl)benzamide1891-90-333 % similar N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-833 % similar Ethyl 4-trifluoromethylbenzoate583-02-833 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-633 % similar 4-(Trifluoromethyl)acetophenone709-63-732 % similar 3-Methoxypropylamine5332-73-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook