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

C8H9ClF2N4 — CID 172727724

IUPAC2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
SMILESFC1(F)CCCN(c2ncnc(Cl)n2)C1
InChIInChI=1S/C8H9ClF2N4/c9-6-12-5-13-7(14-6)15-3-1-2-8(10,11)4-15/h5H,1-4H2
InChIKeyHJGOCCOKWUIWQO-UHFFFAOYSA-N
MW234.64 g/mol
LogP1.76
Rot. Bonds1

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

2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine (PubChem CID 172727724) has the molecular formula C8H9ClF2N4 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
PubChem CID172727724
Molecular FormulaC8H9ClF2N4
Molecular Weight234.64 g/mol
Exact Mass234.05
IUPAC Name2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine
SMILESFC1(F)CCCN(c2ncnc(Cl)n2)C1
InChIInChI=1S/C8H9ClF2N4/c9-6-12-5-13-7(14-6)15-3-1-2-8(10,11)4-15/h5H,1-4H2
InChIKeyHJGOCCOKWUIWQO-UHFFFAOYSA-N
XLogP1.76
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine (CID 172727724) is 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine is FC1(F)CCCN(c2ncnc(Cl)n2)C1.
What is the InChIKey of 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
The InChIKey is HJGOCCOKWUIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N4/c9-6-12-5-13-7(14-6)15-3-1-2-8(10,11)4-15/h5H,1-4H2.
What are the key properties of 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine?
2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine has a molecular weight of 234.64 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-difluoropiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 172727724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).