4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C5H4ClF3N4 — CID 83241671

IUPAC4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CC(F)(F)F)n1
InChIInChI=1S/C5H4ClF3N4/c6-3-11-2(1-5(7,8)9)12-4(10)13-3/h1H2,(H2,10,11,12,13)
InChIKeyMSXKFCCCNOOBFY-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.21
Rot. Bonds1

About 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 83241671) has the molecular formula C5H4ClF3N4 and a molecular weight of 212.56 g/mol. Its IUPAC name is 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID83241671
Molecular FormulaC5H4ClF3N4
Molecular Weight212.56 g/mol
Exact Mass212.01
IUPAC Name4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CC(F)(F)F)n1
InChIInChI=1S/C5H4ClF3N4/c6-3-11-2(1-5(7,8)9)12-4(10)13-3/h1H2,(H2,10,11,12,13)
InChIKeyMSXKFCCCNOOBFY-UHFFFAOYSA-N
XLogP1.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 83241671) is 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is MSXKFCCCNOOBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N4/c6-3-11-2(1-5(7,8)9)12-4(10)13-3/h1H2,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 212.56 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).