N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

C10H14F4N4O2 — CID 80868798

IUPACN-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H14F4N4O2/c1-3-4-19-8-16-7(15-2)17-9(18-8)20-5-10(13,14)6(11)12/h6H,3-5H2,1-2H3,(H,15,16,17,18)
InChIKeyBSFFNAGAAGJXLC-UHFFFAOYSA-N
MW298.24 g/mol
LogP1.98
Rot. Bonds8

About N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80868798) has the molecular formula C10H14F4N4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80868798
Molecular FormulaC10H14F4N4O2
Molecular Weight298.24 g/mol
Exact Mass298.11
IUPAC NameN-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H14F4N4O2/c1-3-4-19-8-16-7(15-2)17-9(18-8)20-5-10(13,14)6(11)12/h6H,3-5H2,1-2H3,(H,15,16,17,18)
InChIKeyBSFFNAGAAGJXLC-UHFFFAOYSA-N
XLogP1.98
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 80868798) is N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is BSFFNAGAAGJXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N4O2/c1-3-4-19-8-16-7(15-2)17-9(18-8)20-5-10(13,14)6(11)12/h6H,3-5H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 298.24 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).