1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine

C5H3F6N3 — CID 158548573

IUPAC1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine
SMILESFC(F)(F)C(F)(F)F.c1ncncn1
InChIInChI=1S/C3H3N3.C2F6/c1-4-2-6-3-5-1;3-1(4,5)2(6,7)8/h1-3H;
InChIKeyHPKXFRJCZHTGFE-UHFFFAOYSA-N
MW219.09 g/mol
LogP1.98
Rot. Bonds

About 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine

1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine (PubChem CID 158548573) has the molecular formula C5H3F6N3 and a molecular weight of 219.09 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine.

Molecular Properties

Compound Name1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine
PubChem CID158548573
Molecular FormulaC5H3F6N3
Molecular Weight219.09 g/mol
Exact Mass219.02
IUPAC Name1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine
SMILESFC(F)(F)C(F)(F)F.c1ncncn1
InChIInChI=1S/C3H3N3.C2F6/c1-4-2-6-3-5-1;3-1(4,5)2(6,7)8/h1-3H;
InChIKeyHPKXFRJCZHTGFE-UHFFFAOYSA-N
XLogP1.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine?
The IUPAC name of 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine (CID 158548573) is 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine.
What is the SMILES notation for 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine?
The canonical SMILES for 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine is FC(F)(F)C(F)(F)F.c1ncncn1.
What is the InChIKey of 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine?
The InChIKey is HPKXFRJCZHTGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2F6/c1-4-2-6-3-5-1;3-1(4,5)2(6,7)8/h1-3H;.
What are the key properties of 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine?
1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine has a molecular weight of 219.09 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexafluoroethane;1,3,5-triazine is sourced from PubChem (CID 158548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).