2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine

C5H3F4N3 — CID 23165635

IUPAC2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
SMILESFC(F)C(F)(F)c1ncncn1
InChIInChI=1S/C5H3F4N3/c6-3(7)5(8,9)4-11-1-10-2-12-4/h1-3H
InChIKeyLHZBSGUADCFXKF-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.23
Rot. Bonds2

About 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine

2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine (PubChem CID 23165635) has the molecular formula C5H3F4N3 and a molecular weight of 181.09 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
PubChem CID23165635
Molecular FormulaC5H3F4N3
Molecular Weight181.09 g/mol
Exact Mass181.03
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
SMILESFC(F)C(F)(F)c1ncncn1
InChIInChI=1S/C5H3F4N3/c6-3(7)5(8,9)4-11-1-10-2-12-4/h1-3H
InChIKeyLHZBSGUADCFXKF-UHFFFAOYSA-N
XLogP1.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.23
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 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine (CID 23165635) is 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine is FC(F)C(F)(F)c1ncncn1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
The InChIKey is LHZBSGUADCFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N3/c6-3(7)5(8,9)4-11-1-10-2-12-4/h1-3H.
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine has a molecular weight of 181.09 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 23165635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).