6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C7H10F3N5O — CID 103206964

IUPAC6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5O/c8-7(9,10)3-16-2-1-4-13-5(11)15-6(12)14-4/h1-3H2,(H4,11,12,13,14,15)
InChIKeyFLNFACUINJLXBX-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.16
Rot. Bonds4

About 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 103206964) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID103206964
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC Name6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5O/c8-7(9,10)3-16-2-1-4-13-5(11)15-6(12)14-4/h1-3H2,(H4,11,12,13,14,15)
InChIKeyFLNFACUINJLXBX-UHFFFAOYSA-N
XLogP0.16
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 103206964) is 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FLNFACUINJLXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c8-7(9,10)3-16-2-1-4-13-5(11)15-6(12)14-4/h1-3H2,(H4,11,12,13,14,15).
What are the key properties of 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 237.18 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103206964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).