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

C7H7F5N4O2 — CID 80878300

IUPAC4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H7F5N4O2/c1-17-4-14-3(13)15-5(16-4)18-2-6(8,9)7(10,11)12/h2H2,1H3,(H2,13,14,15,16)
InChIKeyNGYJYNLHSFDTSQ-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.04
Rot. Bonds4

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

4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80878300) has the molecular formula C7H7F5N4O2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80878300
Molecular FormulaC7H7F5N4O2
Molecular Weight274.15 g/mol
Exact Mass274.05
IUPAC Name4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H7F5N4O2/c1-17-4-14-3(13)15-5(16-4)18-2-6(8,9)7(10,11)12/h2H2,1H3,(H2,13,14,15,16)
InChIKeyNGYJYNLHSFDTSQ-UHFFFAOYSA-N
XLogP1.04
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.04
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

4-methoxy-6-(2,2,2-trichloroethoxy)-1,3,5-triazin-2-amine
CID 117061557
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
CID 80859663
4-(2,2,3,3,3-pentafluoropropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80871032
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 113427586
4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
2,4,6-tris[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxymethoxy]-1,3,5-triazine
CID 170244173
4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 175471466
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 80772588
2-(2,2,3,3,4,4,4-heptafluorobutoxy)-4-prop-2-enoxy-6-(2,2,3,3-tetrafluorobutoxy)-1,3,5-triazine
CID 58813220

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine (CID 80878300) is 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine is COc1nc(N)nc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is NGYJYNLHSFDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N4O2/c1-17-4-14-3(13)15-5(16-4)18-2-6(8,9)7(10,11)12/h2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine?
4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 274.15 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).