1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine

C19H20F4N2O — CID 46890532

IUPAC1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESFc1ccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
InChIKeySQSFWPVYWBTHEX-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.91
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine

1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine (PubChem CID 46890532) has the molecular formula C19H20F4N2O and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
PubChem CID46890532
Molecular FormulaC19H20F4N2O
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC Name1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESFc1ccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1
InChIInChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
InChIKeySQSFWPVYWBTHEX-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-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine (CID 46890532) is 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine is Fc1ccc(C(Cc2ccccc2OC(F)(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
The InChIKey is SQSFWPVYWBTHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2.
What are the key properties of 1-[1-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine?
1-[1-(4-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-(4-fluorophenyl)-2-[2-(trifluoromethoxy)phenyl]ethyl]piperazine is sourced from PubChem (CID 46890532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).