2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine

C13H12FN3 — CID 71426490

IUPAC2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(C=Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN3/c1-9-15-10(2)17-13(16-9)8-5-11-3-6-12(14)7-4-11/h3-8H,1-2H3
InChIKeyDGYLOAAKNVDXRB-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.80
Rot. Bonds2

About 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine

2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 71426490) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
PubChem CID71426490
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(C=Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN3/c1-9-15-10(2)17-13(16-9)8-5-11-3-6-12(14)7-4-11/h3-8H,1-2H3
InChIKeyDGYLOAAKNVDXRB-UHFFFAOYSA-N
XLogP2.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine (CID 71426490) is 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine is Cc1nc(C)nc(C=Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is DGYLOAAKNVDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c1-9-15-10(2)17-13(16-9)8-5-11-3-6-12(14)7-4-11/h3-8H,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine?
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 229.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 71426490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).