4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C8H11F4N5 — CID 13235957

IUPAC4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(F)nc(NC(C)C(F)(F)F)n1
InChIInChI=1S/C8H11F4N5/c1-3-13-6-15-5(9)16-7(17-6)14-4(2)8(10,11)12/h4H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyOPVXLWSZBJRSGK-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.81
Rot. Bonds4

About 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 13235957) has the molecular formula C8H11F4N5 and a molecular weight of 253.20 g/mol. Its IUPAC name is 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID13235957
Molecular FormulaC8H11F4N5
Molecular Weight253.20 g/mol
Exact Mass253.10
IUPAC Name4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(F)nc(NC(C)C(F)(F)F)n1
InChIInChI=1S/C8H11F4N5/c1-3-13-6-15-5(9)16-7(17-6)14-4(2)8(10,11)12/h4H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyOPVXLWSZBJRSGK-UHFFFAOYSA-N
XLogP1.81
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 13235957) is 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(F)nc(NC(C)C(F)(F)F)n1.
What is the InChIKey of 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OPVXLWSZBJRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N5/c1-3-13-6-15-5(9)16-7(17-6)14-4(2)8(10,11)12/h4H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.20 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13235957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).