N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine

C13H18F6N4O — CID 146554118

IUPACN,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C13H18F6N4O/c1-5-23(6-2)10-20-8(7(3)4)21-11(22-10)24-9(12(14,15)16)13(17,18)19/h7,9H,5-6H2,1-4H3
InChIKeyCELORGXBCHBMKY-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.71
Rot. Bonds6

About N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine

N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 146554118) has the molecular formula C13H18F6N4O and a molecular weight of 360.30 g/mol. Its IUPAC name is N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID146554118
Molecular FormulaC13H18F6N4O
Molecular Weight360.30 g/mol
Exact Mass360.14
IUPAC NameN,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C13H18F6N4O/c1-5-23(6-2)10-20-8(7(3)4)21-11(22-10)24-9(12(14,15)16)13(17,18)19/h7,9H,5-6H2,1-4H3
InChIKeyCELORGXBCHBMKY-UHFFFAOYSA-N
XLogP3.71
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 146554118) is N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine is CCN(CC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is CELORGXBCHBMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6N4O/c1-5-23(6-2)10-20-8(7(3)4)21-11(22-10)24-9(12(14,15)16)13(17,18)19/h7,9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine?
N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 360.30 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 146554118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).