2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine

C9H9Cl2F3N4 — CID 60726181

IUPAC2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
SMILESFC(F)(F)C1CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H9Cl2F3N4/c10-6-15-7(11)17-8(16-6)18-3-1-2-5(4-18)9(12,13)14/h5H,1-4H2
InChIKeyAFQADTWXKQIJCL-UHFFFAOYSA-N
MW301.10 g/mol
LogP2.96
Rot. Bonds1

About 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine

2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine (PubChem CID 60726181) has the molecular formula C9H9Cl2F3N4 and a molecular weight of 301.10 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
PubChem CID60726181
Molecular FormulaC9H9Cl2F3N4
Molecular Weight301.10 g/mol
Exact Mass300.02
IUPAC Name2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine
SMILESFC(F)(F)C1CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H9Cl2F3N4/c10-6-15-7(11)17-8(16-6)18-3-1-2-5(4-18)9(12,13)14/h5H,1-4H2
InChIKeyAFQADTWXKQIJCL-UHFFFAOYSA-N
XLogP2.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine (CID 60726181) is 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine is FC(F)(F)C1CCCN(c2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine?
The InChIKey is AFQADTWXKQIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N4/c10-6-15-7(11)17-8(16-6)18-3-1-2-5(4-18)9(12,13)14/h5H,1-4H2.
What are the key properties of 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine?
2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine has a molecular weight of 301.10 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 60726181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).