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

C19H10F12N4O2 — CID 550636

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(Nc2cccc3ccccc23)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C19H10F12N4O2/c20-16(21,22)11(17(23,24)25)36-14-33-13(32-10-7-3-5-8-4-1-2-6-9(8)10)34-15(35-14)37-12(18(26,27)28)19(29,30)31/h1-7,11-12H,(H,32,33,34,35)
InChIKeySWQLWFWHKCPVAJ-UHFFFAOYSA-N
MW554.29 g/mol
LogP6.51
Rot. Bonds6

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

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine (PubChem CID 550636) has the molecular formula C19H10F12N4O2 and a molecular weight of 554.29 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine
PubChem CID550636
Molecular FormulaC19H10F12N4O2
Molecular Weight554.29 g/mol
Exact Mass554.06
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(Oc1nc(Nc2cccc3ccccc23)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C19H10F12N4O2/c20-16(21,22)11(17(23,24)25)36-14-33-13(32-10-7-3-5-8-4-1-2-6-9(8)10)34-15(35-14)37-12(18(26,27)28)19(29,30)31/h1-7,11-12H,(H,32,33,34,35)
InChIKeySWQLWFWHKCPVAJ-UHFFFAOYSA-N
XLogP6.51
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.29
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine (CID 550636) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine is FC(F)(F)C(Oc1nc(Nc2cccc3ccccc23)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SWQLWFWHKCPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F12N4O2/c20-16(21,22)11(17(23,24)25)36-14-33-13(32-10-7-3-5-8-4-1-2-6-9(8)10)34-15(35-14)37-12(18(26,27)28)19(29,30)31/h1-7,11-12H,(H,32,33,34,35).
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine has a molecular weight of 554.29 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-naphthalen-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).