6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C5H6F3N5 — CID 175419378

IUPAC6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)C(F)F)n1
InChIInChI=1S/C5H6F3N5/c6-1(2(7)8)3-11-4(9)13-5(10)12-3/h1-2H,(H4,9,10,11,12,13)
InChIKeyYCWHUIUNXJIQFX-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.31
Rot. Bonds2

About 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 175419378) has the molecular formula C5H6F3N5 and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID175419378
Molecular FormulaC5H6F3N5
Molecular Weight193.13 g/mol
Exact Mass193.06
IUPAC Name6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)C(F)F)n1
InChIInChI=1S/C5H6F3N5/c6-1(2(7)8)3-11-4(9)13-5(10)12-3/h1-2H,(H4,9,10,11,12,13)
InChIKeyYCWHUIUNXJIQFX-UHFFFAOYSA-N
XLogP0.31
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 175419378) is 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C(F)C(F)F)n1.
What is the InChIKey of 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YCWHUIUNXJIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N5/c6-1(2(7)8)3-11-4(9)13-5(10)12-3/h1-2H,(H4,9,10,11,12,13).
What are the key properties of 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 193.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175419378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).