2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine

C14H13F12N5O2 — CID 3912928

IUPAC2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCN1CCN(c2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)CC1
InChIInChI=1S/C14H13F12N5O2/c1-30-2-4-31(5-3-30)8-27-9(32-6(11(15,16)17)12(18,19)20)29-10(28-8)33-7(13(21,22)23)14(24,25)26/h6-7H,2-5H2,1H3
InChIKeyKBBWXBARNKDHRX-UHFFFAOYSA-N
MW511.27 g/mol
LogP3.37
Rot. Bonds5

About 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine

2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 3912928) has the molecular formula C14H13F12N5O2 and a molecular weight of 511.27 g/mol. Its IUPAC name is 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
PubChem CID3912928
Molecular FormulaC14H13F12N5O2
Molecular Weight511.27 g/mol
Exact Mass511.09
IUPAC Name2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESCN1CCN(c2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)CC1
InChIInChI=1S/C14H13F12N5O2/c1-30-2-4-31(5-3-30)8-27-9(32-6(11(15,16)17)12(18,19)20)29-10(28-8)33-7(13(21,22)23)14(24,25)26/h6-7H,2-5H2,1H3
InChIKeyKBBWXBARNKDHRX-UHFFFAOYSA-N
XLogP3.37
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(4-morpholyl)-
CID 549986
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
2-(4-Morpholinyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1227424
N-methyl-N-{4-(4-morpholinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amine
CID 3435092
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N,N-dimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 3942683
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N,N-dipropyl-1,3,5-triazin-2-amine
CID 3942684
4-(1-Piperazinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3953767
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827320
4-chloro-N,N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 129286205
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 175232804
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 3273428

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine (CID 3912928) is 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine is CN1CCN(c2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)CC1.
What is the InChIKey of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is KBBWXBARNKDHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F12N5O2/c1-30-2-4-31(5-3-30)8-27-9(32-6(11(15,16)17)12(18,19)20)29-10(28-8)33-7(13(21,22)23)14(24,25)26/h6-7H,2-5H2,1H3.
What are the key properties of 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine?
2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 511.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 3912928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).