2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine

C10H8FN3O — CID 174455655

IUPAC2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2ncnc(F)n2)cc1
InChIInChI=1S/C10H8FN3O/c1-7-2-4-8(5-3-7)15-10-13-6-12-9(11)14-10/h2-6H,1H3
InChIKeyKUDXAXJVYSLXPQ-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.11
Rot. Bonds2

About 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine

2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine (PubChem CID 174455655) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine
PubChem CID174455655
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine
SMILESCc1ccc(Oc2ncnc(F)n2)cc1
InChIInChI=1S/C10H8FN3O/c1-7-2-4-8(5-3-7)15-10-13-6-12-9(11)14-10/h2-6H,1H3
InChIKeyKUDXAXJVYSLXPQ-UHFFFAOYSA-N
XLogP2.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine (CID 174455655) is 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine is Cc1ccc(Oc2ncnc(F)n2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine?
The InChIKey is KUDXAXJVYSLXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-7-2-4-8(5-3-7)15-10-13-6-12-9(11)14-10/h2-6H,1H3.
What are the key properties of 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine?
2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine has a molecular weight of 205.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 174455655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).