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

C15H14F12N4O2 — CID 550625

IUPACN-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C15H14F12N4O2/c16-12(17,18)7(13(19,20)21)32-10-29-9(28-6-4-2-1-3-5-6)30-11(31-10)33-8(14(22,23)24)15(25,26)27/h6-8H,1-5H2,(H,28,29,30,31)
InChIKeyUQVWQMUXDAUZHO-UHFFFAOYSA-N
MW510.28 g/mol
LogP5.36
Rot. Bonds6

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

N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 550625) has the molecular formula C15H14F12N4O2 and a molecular weight of 510.28 g/mol. Its IUPAC name is N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID550625
Molecular FormulaC15H14F12N4O2
Molecular Weight510.28 g/mol
Exact Mass510.09
IUPAC NameN-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C15H14F12N4O2/c16-12(17,18)7(13(19,20)21)32-10-29-9(28-6-4-2-1-3-5-6)30-11(31-10)33-8(14(22,23)24)15(25,26)27/h6-8H,1-5H2,(H,28,29,30,31)
InChIKeyUQVWQMUXDAUZHO-UHFFFAOYSA-N
XLogP5.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 550625) is N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is UQVWQMUXDAUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F12N4O2/c16-12(17,18)7(13(19,20)21)32-10-29-9(28-6-4-2-1-3-5-6)30-11(31-10)33-8(14(22,23)24)15(25,26)27/h6-8H,1-5H2,(H,28,29,30,31).
What are the key properties of N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 510.28 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 550625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).