2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine

C8H8Cl2F2N4 — CID 118936960

IUPAC2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
SMILESFC1(F)CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C8H8Cl2F2N4/c9-5-13-6(10)15-7(14-5)16-3-1-2-8(11,12)4-16/h1-4H2
InChIKeyQLVXRVVIOFDQDX-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.41
Rot. Bonds1

About 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine

2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine (PubChem CID 118936960) has the molecular formula C8H8Cl2F2N4 and a molecular weight of 269.08 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
PubChem CID118936960
Molecular FormulaC8H8Cl2F2N4
Molecular Weight269.08 g/mol
Exact Mass268.01
IUPAC Name2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
SMILESFC1(F)CCCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C8H8Cl2F2N4/c9-5-13-6(10)15-7(14-5)16-3-1-2-8(11,12)4-16/h1-4H2
InChIKeyQLVXRVVIOFDQDX-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 52.41
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-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine (CID 118936960) is 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine is FC1(F)CCCN(c2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
The InChIKey is QLVXRVVIOFDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F2N4/c9-5-13-6(10)15-7(14-5)16-3-1-2-8(11,12)4-16/h1-4H2.
What are the key properties of 2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
2,4-dichloro-6-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine has a molecular weight of 269.08 g/mol, XLogP of 2.41, 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-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 118936960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).