1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine

C19H20F4N2O — CID 46890492

IUPAC1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESFc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
InChIInChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
InChIKeyWARUECLCXNMKJR-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.91
Rot. Bonds5

About 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine

1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine (PubChem CID 46890492) has the molecular formula C19H20F4N2O and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
PubChem CID46890492
Molecular FormulaC19H20F4N2O
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC Name1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESFc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
InChIInChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2
InChIKeyWARUECLCXNMKJR-UHFFFAOYSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
The IUPAC name of 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine (CID 46890492) is 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine is Fc1ccccc1C(Cc1ccccc1OC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
The InChIKey is WARUECLCXNMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O/c20-16-7-3-2-6-15(16)17(25-11-9-24-10-12-25)13-14-5-1-4-8-18(14)26-19(21,22)23/h1-8,17,24H,9-13H2.
What are the key properties of 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine has a molecular weight of 368.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine is sourced from PubChem (CID 46890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).