2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C19H18ClF3N2O2 — CID 1320635

IUPAC2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H18ClF3N2O2/c20-15-4-6-17(7-5-15)27-13-18(26)25-10-8-24(9-11-25)16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2
InChIKeyAEUFNXCAQHWQDI-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 1320635) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID1320635
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H18ClF3N2O2/c20-15-4-6-17(7-5-15)27-13-18(26)25-10-8-24(9-11-25)16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2
InChIKeyAEUFNXCAQHWQDI-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 1320635) is 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is AEUFNXCAQHWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c20-15-4-6-17(7-5-15)27-13-18(26)25-10-8-24(9-11-25)16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 398.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 1320635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).