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

C7H6Cl2F2N4 — CID 118937033

IUPAC2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine
SMILESFC1(F)CCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C7H6Cl2F2N4/c8-4-12-5(9)14-6(13-4)15-2-1-7(10,11)3-15/h1-3H2
InChIKeyFTNYJYIJPYLOHR-UHFFFAOYSA-N
MW255.05 g/mol
LogP2.02
Rot. Bonds1

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

2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 118937033) has the molecular formula C7H6Cl2F2N4 and a molecular weight of 255.05 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine
PubChem CID118937033
Molecular FormulaC7H6Cl2F2N4
Molecular Weight255.05 g/mol
Exact Mass253.99
IUPAC Name2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine
SMILESFC1(F)CCN(c2nc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C7H6Cl2F2N4/c8-4-12-5(9)14-6(13-4)15-2-1-7(10,11)3-15/h1-3H2
InChIKeyFTNYJYIJPYLOHR-UHFFFAOYSA-N
XLogP2.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 52.02
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-difluoropyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine (CID 118937033) is 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine is FC1(F)CCN(c2nc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is FTNYJYIJPYLOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2N4/c8-4-12-5(9)14-6(13-4)15-2-1-7(10,11)3-15/h1-3H2.
What are the key properties of 2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine?
2,4-dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 255.05 g/mol, XLogP of 2.02, 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-difluoropyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 118937033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).