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

C6H6ClF3N4O — CID 80877215

IUPAC4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(Oc1nc(N)nc(Cl)n1)C(F)(F)F
InChIInChI=1S/C6H6ClF3N4O/c1-2(6(8,9)10)15-5-13-3(7)12-4(11)14-5/h2H,1H3,(H2,11,12,13,14)
InChIKeyMWFHMXRYVBKXBU-UHFFFAOYSA-N
MW242.59 g/mol
LogP1.44
Rot. Bonds2

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

4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 80877215) has the molecular formula C6H6ClF3N4O and a molecular weight of 242.59 g/mol. Its IUPAC name is 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID80877215
Molecular FormulaC6H6ClF3N4O
Molecular Weight242.59 g/mol
Exact Mass242.02
IUPAC Name4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCC(Oc1nc(N)nc(Cl)n1)C(F)(F)F
InChIInChI=1S/C6H6ClF3N4O/c1-2(6(8,9)10)15-5-13-3(7)12-4(11)14-5/h2H,1H3,(H2,11,12,13,14)
InChIKeyMWFHMXRYVBKXBU-UHFFFAOYSA-N
XLogP1.44
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.59
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 80877215) is 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is CC(Oc1nc(N)nc(Cl)n1)C(F)(F)F.
What is the InChIKey of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is MWFHMXRYVBKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N4O/c1-2(6(8,9)10)15-5-13-3(7)12-4(11)14-5/h2H,1H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 242.59 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).