4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine

C14H14F12N4O2 — CID 634924

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H14F12N4O2/c1-2-3-4-5-27-8-28-9(31-6(11(15,16)17)12(18,19)20)30-10(29-8)32-7(13(21,22)23)14(24,25)26/h6-7H,2-5H2,1H3,(H,27,28,29,30)
InChIKeyWLRGIINBQWKQNW-UHFFFAOYSA-N
MW498.27 g/mol
LogP5.22
Rot. Bonds9

About 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine (PubChem CID 634924) has the molecular formula C14H14F12N4O2 and a molecular weight of 498.27 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine
PubChem CID634924
Molecular FormulaC14H14F12N4O2
Molecular Weight498.27 g/mol
Exact Mass498.09
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H14F12N4O2/c1-2-3-4-5-27-8-28-9(31-6(11(15,16)17)12(18,19)20)30-10(29-8)32-7(13(21,22)23)14(24,25)26/h6-7H,2-5H2,1H3,(H,27,28,29,30)
InChIKeyWLRGIINBQWKQNW-UHFFFAOYSA-N
XLogP5.22
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.27
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
N-cyclohexyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 550625
4-(azepan-1-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-propyl-1,3,5-triazin-2-amine
CID 3251709
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-butyl-amine
CID 627767
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-cyclopropyl-amine
CID 629030

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine (CID 634924) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine is CCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine?
The InChIKey is WLRGIINBQWKQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F12N4O2/c1-2-3-4-5-27-8-28-9(31-6(11(15,16)17)12(18,19)20)30-10(29-8)32-7(13(21,22)23)14(24,25)26/h6-7H,2-5H2,1H3,(H,27,28,29,30).
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine has a molecular weight of 498.27 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 634924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).