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

C5H5F3N4 — CID 63868170

IUPAC4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(CC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4/c6-5(7,8)1-3-10-2-11-4(9)12-3/h2H,1H2,(H2,9,10,11,12)
InChIKeyLEXHRWPQNQLTNZ-UHFFFAOYSA-N
MW178.12 g/mol
LogP0.56
Rot. Bonds1

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

4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 63868170) has the molecular formula C5H5F3N4 and a molecular weight of 178.12 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID63868170
Molecular FormulaC5H5F3N4
Molecular Weight178.12 g/mol
Exact Mass178.05
IUPAC Name4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(CC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4/c6-5(7,8)1-3-10-2-11-4(9)12-3/h2H,1H2,(H2,9,10,11,12)
InChIKeyLEXHRWPQNQLTNZ-UHFFFAOYSA-N
XLogP0.56
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1,3,5-triazin-2-amine
CID 33971
4-(Trifluoromethyl)-1,3,5-triazin-2-amine
CID 19920908
4-Methyl-6-trifl uoromethyl-1,3,5-triazine
CID 20133964
2-Ethyl-1,3,5-triazine
CID 19193
4-Isopropyl-1,3,5-triazin-2-amine
CID 21138957
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633
6-(2,2,3,3,3-Pentafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512634
6-(3,3,3-Trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512642
2-(1-Fluoroethyl)-1,3,5-triazine
CID 18964718
2-(Difluoromethyl)-1,3,5-triazine
CID 20213182
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3,5-triazine
CID 23165623
2-(1,1,2,2-Tetrafluoroethyl)-1,3,5-triazine
CID 23165635

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 63868170) is 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is Nc1ncnc(CC(F)(F)F)n1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is LEXHRWPQNQLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4/c6-5(7,8)1-3-10-2-11-4(9)12-3/h2H,1H2,(H2,9,10,11,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 178.12 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).