6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine

C10H13F6N5O — CID 3485812

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H13F6N5O/c1-3-4-18-7-19-6(17-2)20-8(21-7)22-5(9(11,12)13)10(14,15)16/h5H,3-4H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyXZCFILAGTRVYAK-UHFFFAOYSA-N
MW333.24 g/mol
LogP2.61
Rot. Bonds6

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 3485812) has the molecular formula C10H13F6N5O and a molecular weight of 333.24 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID3485812
Molecular FormulaC10H13F6N5O
Molecular Weight333.24 g/mol
Exact Mass333.10
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H13F6N5O/c1-3-4-18-7-19-6(17-2)20-8(21-7)22-5(9(11,12)13)10(14,15)16/h5H,3-4H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyXZCFILAGTRVYAK-UHFFFAOYSA-N
XLogP2.61
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 3485812) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XZCFILAGTRVYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N5O/c1-3-4-18-7-19-6(17-2)20-8(21-7)22-5(9(11,12)13)10(14,15)16/h5H,3-4H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 333.24 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3485812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).