4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C8H9Cl2F3N4 — CID 55124566

IUPAC4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H9Cl2F3N4/c1-2-3-17(4-8(11,12)13)7-15-5(9)14-6(10)16-7/h2-4H2,1H3
InChIKeyIGPXFBMJOOHKBM-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.96
Rot. Bonds4

About 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 55124566) has the molecular formula C8H9Cl2F3N4 and a molecular weight of 289.09 g/mol. Its IUPAC name is 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID55124566
Molecular FormulaC8H9Cl2F3N4
Molecular Weight289.09 g/mol
Exact Mass288.02
IUPAC Name4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H9Cl2F3N4/c1-2-3-17(4-8(11,12)13)7-15-5(9)14-6(10)16-7/h2-4H2,1H3
InChIKeyIGPXFBMJOOHKBM-UHFFFAOYSA-N
XLogP2.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 55124566) is 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCCN(CC(F)(F)F)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is IGPXFBMJOOHKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F3N4/c1-2-3-17(4-8(11,12)13)7-15-5(9)14-6(10)16-7/h2-4H2,1H3.
What are the key properties of 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 289.09 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).