2-ethyl-4-fluoro-1,3,5-triazine

C5H6FN3 — CID 54234250

IUPAC2-ethyl-4-fluoro-1,3,5-triazine
SMILESCCc1ncnc(F)n1
InChIInChI=1S/C5H6FN3/c1-2-4-7-3-8-5(6)9-4/h3H,2H2,1H3
InChIKeyZETFFDLQKNDYNP-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.57
Rot. Bonds1

About 2-ethyl-4-fluoro-1,3,5-triazine

2-ethyl-4-fluoro-1,3,5-triazine (PubChem CID 54234250) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1,3,5-triazine
PubChem CID54234250
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name2-ethyl-4-fluoro-1,3,5-triazine
SMILESCCc1ncnc(F)n1
InChIInChI=1S/C5H6FN3/c1-2-4-7-3-8-5(6)9-4/h3H,2H2,1H3
InChIKeyZETFFDLQKNDYNP-UHFFFAOYSA-N
XLogP0.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1,3,5-triazine?
The IUPAC name of 2-ethyl-4-fluoro-1,3,5-triazine (CID 54234250) is 2-ethyl-4-fluoro-1,3,5-triazine.
What is the SMILES notation for 2-ethyl-4-fluoro-1,3,5-triazine?
The canonical SMILES for 2-ethyl-4-fluoro-1,3,5-triazine is CCc1ncnc(F)n1.
What is the InChIKey of 2-ethyl-4-fluoro-1,3,5-triazine?
The InChIKey is ZETFFDLQKNDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c1-2-4-7-3-8-5(6)9-4/h3H,2H2,1H3.
What are the key properties of 2-ethyl-4-fluoro-1,3,5-triazine?
2-ethyl-4-fluoro-1,3,5-triazine has a molecular weight of 127.12 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1,3,5-triazine is sourced from PubChem (CID 54234250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).