2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

C17H17F6N5O2 — CID 644828

IUPAC2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H17F6N5O2/c18-16(19,20)10-29-14-24-13(25-15(26-14)30-11-17(21,22)23)28-8-6-27(7-9-28)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyZBVDVDKTYVRKJV-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 644828) has the molecular formula C17H17F6N5O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID644828
Molecular FormulaC17H17F6N5O2
Molecular Weight437.34 g/mol
Exact Mass437.13
IUPAC Name2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H17F6N5O2/c18-16(19,20)10-29-14-24-13(25-15(26-14)30-11-17(21,22)23)28-8-6-27(7-9-28)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyZBVDVDKTYVRKJV-UHFFFAOYSA-N
XLogP3.08
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 644828) is 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is ZBVDVDKTYVRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N5O2/c18-16(19,20)10-29-14-24-13(25-15(26-14)30-11-17(21,22)23)28-8-6-27(7-9-28)12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 437.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 644828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).