4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine

C7H9F6N5 — CID 172753337

IUPAC4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1(CC(F)(F)F)N=CN/C(=N\CC(F)(F)F)N1
InChIInChI=1S/C7H9F6N5/c8-5(9,10)1-7(14)17-3-16-4(18-7)15-2-6(11,12)13/h3H,1-2,14H2,(H2,15,16,17,18)
InChIKeyKRJHRQDEOCIFNW-UHFFFAOYSA-N
MW277.17 g/mol
LogP0.69
Rot. Bonds2

About 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine

4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 172753337) has the molecular formula C7H9F6N5 and a molecular weight of 277.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID172753337
Molecular FormulaC7H9F6N5
Molecular Weight277.17 g/mol
Exact Mass277.08
IUPAC Name4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1(CC(F)(F)F)N=CN/C(=N\CC(F)(F)F)N1
InChIInChI=1S/C7H9F6N5/c8-5(9,10)1-7(14)17-3-16-4(18-7)15-2-6(11,12)13/h3H,1-2,14H2,(H2,15,16,17,18)
InChIKeyKRJHRQDEOCIFNW-UHFFFAOYSA-N
XLogP0.69
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine (CID 172753337) is 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine is NC1(CC(F)(F)F)N=CN/C(=N\CC(F)(F)F)N1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is KRJHRQDEOCIFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N5/c8-5(9,10)1-7(14)17-3-16-4(18-7)15-2-6(11,12)13/h3H,1-2,14H2,(H2,15,16,17,18).
What are the key properties of 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine?
4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 277.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-2-(2,2,2-trifluoroethylimino)-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 172753337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).