4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine

C8H9F5N4O2 — CID 80877237

IUPAC4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H9F5N4O2/c1-14-4-15-5(18-2)17-6(16-4)19-3-7(9,10)8(11,12)13/h3H2,1-2H3,(H,14,15,16,17)
InChIKeyHCPRBMUHFUYQIF-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.50
Rot. Bonds5

About 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine

4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80877237) has the molecular formula C8H9F5N4O2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80877237
Molecular FormulaC8H9F5N4O2
Molecular Weight288.18 g/mol
Exact Mass288.06
IUPAC Name4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H9F5N4O2/c1-14-4-15-5(18-2)17-6(16-4)19-3-7(9,10)8(11,12)13/h3H2,1-2H3,(H,14,15,16,17)
InChIKeyHCPRBMUHFUYQIF-UHFFFAOYSA-N
XLogP1.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
Stk076603
CID 1375559
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
N-Methyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 625950
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine (CID 80877237) is 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is HCPRBMUHFUYQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N4O2/c1-14-4-15-5(18-2)17-6(16-4)19-3-7(9,10)8(11,12)13/h3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 288.18 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).