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

C5H5F3N4 — CID 67912023

IUPAC4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C(F)(F)CF)n1
InChIInChI=1S/C5H5F3N4/c6-1-5(7,8)3-10-2-11-4(9)12-3/h2H,1H2,(H2,9,10,11,12)
InChIKeyCHYVLZZCHHLJCD-UHFFFAOYSA-N
MW178.12 g/mol
LogP0.52
Rot. Bonds2

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

4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 67912023) has the molecular formula C5H5F3N4 and a molecular weight of 178.12 g/mol. Its IUPAC name is 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID67912023
Molecular FormulaC5H5F3N4
Molecular Weight178.12 g/mol
Exact Mass178.05
IUPAC Name4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C(F)(F)CF)n1
InChIInChI=1S/C5H5F3N4/c6-1-5(7,8)3-10-2-11-4(9)12-3/h2H,1H2,(H2,9,10,11,12)
InChIKeyCHYVLZZCHHLJCD-UHFFFAOYSA-N
XLogP0.52
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 67912023) is 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine is Nc1ncnc(C(F)(F)CF)n1.
What is the InChIKey of 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is CHYVLZZCHHLJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4/c6-1-5(7,8)3-10-2-11-4(9)12-3/h2H,1H2,(H2,9,10,11,12).
What are the key properties of 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 178.12 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 67912023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).