1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine

C13H16F4N2O — CID 64565327

IUPAC1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine
SMILESFc1ccc(OCCC(F)(F)F)c(N2CCNCC2)c1
InChIInChI=1S/C13H16F4N2O/c14-10-1-2-12(20-8-3-13(15,16)17)11(9-10)19-6-4-18-5-7-19/h1-2,9,18H,3-8H2
InChIKeyJJYOREOKOGINKV-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.57
Rot. Bonds4

About 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine

1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine (PubChem CID 64565327) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine
PubChem CID64565327
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine
SMILESFc1ccc(OCCC(F)(F)F)c(N2CCNCC2)c1
InChIInChI=1S/C13H16F4N2O/c14-10-1-2-12(20-8-3-13(15,16)17)11(9-10)19-6-4-18-5-7-19/h1-2,9,18H,3-8H2
InChIKeyJJYOREOKOGINKV-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine?
The IUPAC name of 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine (CID 64565327) is 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine.
What is the SMILES notation for 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine?
The canonical SMILES for 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine is Fc1ccc(OCCC(F)(F)F)c(N2CCNCC2)c1.
What is the InChIKey of 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine?
The InChIKey is JJYOREOKOGINKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-10-1-2-12(20-8-3-13(15,16)17)11(9-10)19-6-4-18-5-7-19/h1-2,9,18H,3-8H2.
What are the key properties of 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine?
1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine has a molecular weight of 292.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]piperazine is sourced from PubChem (CID 64565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).