2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride

C3HClF3N3 — CID 86738399

IUPAC2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride
SMILESF.Fc1nc(F)nc(Cl)n1
InChIInChI=1S/C3ClF2N3.FH/c4-1-7-2(5)9-3(6)8-1;/h;1H
InChIKeyKPYURYWWJBMEOW-UHFFFAOYSA-N
MW171.51 g/mol
LogP0.96
Rot. Bonds

About 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride

2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride (PubChem CID 86738399) has the molecular formula C3HClF3N3 and a molecular weight of 171.51 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride
PubChem CID86738399
Molecular FormulaC3HClF3N3
Molecular Weight171.51 g/mol
Exact Mass170.98
IUPAC Name2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride
SMILESF.Fc1nc(F)nc(Cl)n1
InChIInChI=1S/C3ClF2N3.FH/c4-1-7-2(5)9-3(6)8-1;/h;1H
InChIKeyKPYURYWWJBMEOW-UHFFFAOYSA-N
XLogP0.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.51
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride?
The IUPAC name of 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride (CID 86738399) is 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride.
What is the SMILES notation for 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride?
The canonical SMILES for 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride is F.Fc1nc(F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride?
The InChIKey is KPYURYWWJBMEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClF2N3.FH/c4-1-7-2(5)9-3(6)8-1;/h;1H.
What are the key properties of 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride?
2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride has a molecular weight of 171.51 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride is sourced from PubChem (CID 86738399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).