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

C16H14ClF6N5O2 — CID 2237865

IUPACN-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1)C(F)(F)F
InChIInChI=1S/C16H14ClF6N5O2/c17-9-1-3-10(4-2-9)24-12-25-13(28-5-7-29-8-6-28)27-14(26-12)30-11(15(18,19)20)16(21,22)23/h1-4,11H,5-8H2,(H,24,25,26,27)
InChIKeyKWKQZVKXESIMLS-UHFFFAOYSA-N
MW457.76 g/mol
LogP3.98
Rot. Bonds5

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

N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 2237865) has the molecular formula C16H14ClF6N5O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID2237865
Molecular FormulaC16H14ClF6N5O2
Molecular Weight457.76 g/mol
Exact Mass457.07
IUPAC NameN-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1)C(F)(F)F
InChIInChI=1S/C16H14ClF6N5O2/c17-9-1-3-10(4-2-9)24-12-25-13(28-5-7-29-8-6-28)27-14(26-12)30-11(15(18,19)20)16(21,22)23/h1-4,11H,5-8H2,(H,24,25,26,27)
InChIKeyKWKQZVKXESIMLS-UHFFFAOYSA-N
XLogP3.98
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 2237865) is N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is FC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)n1)C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KWKQZVKXESIMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF6N5O2/c17-9-1-3-10(4-2-9)24-12-25-13(28-5-7-29-8-6-28)27-14(26-12)30-11(15(18,19)20)16(21,22)23/h1-4,11H,5-8H2,(H,24,25,26,27).
What are the key properties of N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 457.76 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2237865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).