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

C10H6F12N4O2 — CID 550369

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H6F12N4O2/c1-23-4-24-5(27-2(7(11,12)13)8(14,15)16)26-6(25-4)28-3(9(17,18)19)10(20,21)22/h2-3H,1H3,(H,23,24,25,26)
InChIKeyISGUMSWCIOASNA-UHFFFAOYSA-N
MW442.16 g/mol
LogP3.66
Rot. Bonds5

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

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 550369) has the molecular formula C10H6F12N4O2 and a molecular weight of 442.16 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID550369
Molecular FormulaC10H6F12N4O2
Molecular Weight442.16 g/mol
Exact Mass442.03
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H6F12N4O2/c1-23-4-24-5(27-2(7(11,12)13)8(14,15)16)26-6(25-4)28-3(9(17,18)19)10(20,21)22/h2-3H,1H3,(H,23,24,25,26)
InChIKeyISGUMSWCIOASNA-UHFFFAOYSA-N
XLogP3.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.16
LogP ≤ 53.66
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-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine (CID 550369) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-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-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is ISGUMSWCIOASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12N4O2/c1-23-4-24-5(27-2(7(11,12)13)8(14,15)16)26-6(25-4)28-3(9(17,18)19)10(20,21)22/h2-3H,1H3,(H,23,24,25,26).
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 442.16 g/mol, XLogP of 3.66, 5 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-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 550369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).