4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

C7H8F4N4O — CID 103476931

IUPAC4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N4O/c8-5(9)7(10,11)2-16-1-4-13-3-14-6(12)15-4/h3,5H,1-2H2,(H2,12,13,14,15)
InChIKeyZZEKUYCVAJIQBJ-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.87
Rot. Bonds5

About 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476931) has the molecular formula C7H8F4N4O and a molecular weight of 240.16 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476931
Molecular FormulaC7H8F4N4O
Molecular Weight240.16 g/mol
Exact Mass240.06
IUPAC Name4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N4O/c8-5(9)7(10,11)2-16-1-4-13-3-14-6(12)15-4/h3,5H,1-2H2,(H2,12,13,14,15)
InChIKeyZZEKUYCVAJIQBJ-UHFFFAOYSA-N
XLogP0.87
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (CID 103476931) is 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is Nc1ncnc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZZEKUYCVAJIQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O/c8-5(9)7(10,11)2-16-1-4-13-3-14-6(12)15-4/h3,5H,1-2H2,(H2,12,13,14,15).
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 240.16 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).