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

C15H7ClF12N4O2 — CID 550635

IUPACN-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C15H7ClF12N4O2/c16-5-1-3-6(4-2-5)29-9-30-10(33-7(12(17,18)19)13(20,21)22)32-11(31-9)34-8(14(23,24)25)15(26,27)28/h1-4,7-8H,(H,29,30,31,32)
InChIKeyHEEUNURSFFAFCS-UHFFFAOYSA-N
MW538.68 g/mol
LogP6.01
Rot. Bonds6

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

N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 550635) has the molecular formula C15H7ClF12N4O2 and a molecular weight of 538.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID550635
Molecular FormulaC15H7ClF12N4O2
Molecular Weight538.68 g/mol
Exact Mass538.01
IUPAC NameN-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C15H7ClF12N4O2/c16-5-1-3-6(4-2-5)29-9-30-10(33-7(12(17,18)19)13(20,21)22)32-11(31-9)34-8(14(23,24)25)15(26,27)28/h1-4,7-8H,(H,29,30,31,32)
InChIKeyHEEUNURSFFAFCS-UHFFFAOYSA-N
XLogP6.01
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.68
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 550635) is N-(4-chlorophenyl)-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-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is FC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is HEEUNURSFFAFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF12N4O2/c16-5-1-3-6(4-2-5)29-9-30-10(33-7(12(17,18)19)13(20,21)22)32-11(31-9)34-8(14(23,24)25)15(26,27)28/h1-4,7-8H,(H,29,30,31,32).
What are the key properties of N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 538.68 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 550635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).