2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

C19H19F3N2O2 — CID 17217725

IUPAC2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19F3N2O2/c1-13(26-18-7-6-14(20)12-16(18)22)19(25)24-10-8-23(9-11-24)17-5-3-2-4-15(17)21/h2-7,12-13H,8-11H2,1H3
InChIKeyWSVKNEMIFGGKNR-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 17217725) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID17217725
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19F3N2O2/c1-13(26-18-7-6-14(20)12-16(18)22)19(25)24-10-8-23(9-11-24)17-5-3-2-4-15(17)21/h2-7,12-13H,8-11H2,1H3
InChIKeyWSVKNEMIFGGKNR-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
2-(2-fluorophenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122343571
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
CID 126855131
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
2-(2-fluorophenoxy)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 75494329
(2R)-2-(2-ethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 93487258

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (CID 17217725) is 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is CC(Oc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is WSVKNEMIFGGKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13(26-18-7-6-14(20)12-16(18)22)19(25)24-10-8-23(9-11-24)17-5-3-2-4-15(17)21/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 364.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17217725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).