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

C5H6FN3O — CID 54342791

IUPAC2-ethoxy-4-fluoro-1,3,5-triazine
SMILESCCOc1ncnc(F)n1
InChIInChI=1S/C5H6FN3O/c1-2-10-5-8-3-7-4(6)9-5/h3H,2H2,1H3
InChIKeyAQTBRVNVRYPGIL-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.41
Rot. Bonds2

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

2-ethoxy-4-fluoro-1,3,5-triazine (PubChem CID 54342791) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-1,3,5-triazine
PubChem CID54342791
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name2-ethoxy-4-fluoro-1,3,5-triazine
SMILESCCOc1ncnc(F)n1
InChIInChI=1S/C5H6FN3O/c1-2-10-5-8-3-7-4(6)9-5/h3H,2H2,1H3
InChIKeyAQTBRVNVRYPGIL-UHFFFAOYSA-N
XLogP0.41
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-1,3,5-triazine?
The IUPAC name of 2-ethoxy-4-fluoro-1,3,5-triazine (CID 54342791) is 2-ethoxy-4-fluoro-1,3,5-triazine.
What is the SMILES notation for 2-ethoxy-4-fluoro-1,3,5-triazine?
The canonical SMILES for 2-ethoxy-4-fluoro-1,3,5-triazine is CCOc1ncnc(F)n1.
What is the InChIKey of 2-ethoxy-4-fluoro-1,3,5-triazine?
The InChIKey is AQTBRVNVRYPGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-2-10-5-8-3-7-4(6)9-5/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-4-fluoro-1,3,5-triazine?
2-ethoxy-4-fluoro-1,3,5-triazine has a molecular weight of 143.12 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-1,3,5-triazine is sourced from PubChem (CID 54342791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).