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

C18H29F6N5O — CID 3372092

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CCC)CCC)n1
InChIInChI=1S/C18H29F6N5O/c1-5-9-28(10-6-2)14-25-15(29(11-7-3)12-8-4)27-16(26-14)30-13(17(19,20)21)18(22,23)24/h13H,5-12H2,1-4H3
InChIKeyZFXJRGCHQFSYJP-UHFFFAOYSA-N
MW445.45 g/mol
LogP5.00
Rot. Bonds12

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

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine (PubChem CID 3372092) has the molecular formula C18H29F6N5O and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine
PubChem CID3372092
Molecular FormulaC18H29F6N5O
Molecular Weight445.45 g/mol
Exact Mass445.23
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CCC)CCC)n1
InChIInChI=1S/C18H29F6N5O/c1-5-9-28(10-6-2)14-25-15(29(11-7-3)12-8-4)27-16(26-14)30-13(17(19,20)21)18(22,23)24/h13H,5-12H2,1-4H3
InChIKeyZFXJRGCHQFSYJP-UHFFFAOYSA-N
XLogP5.00
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
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)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine (CID 3372092) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CCC)CCC)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZFXJRGCHQFSYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F6N5O/c1-5-9-28(10-6-2)14-25-15(29(11-7-3)12-8-4)27-16(26-14)30-13(17(19,20)21)18(22,23)24/h13H,5-12H2,1-4H3.
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 445.45 g/mol, XLogP of 5.00, 12 rotatable bonds, 0 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)-2-N,2-N,4-N,4-N-tetrapropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3372092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).