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

C10H8FN3 — CID 174341953

IUPAC2-fluoro-4-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2ncnc(F)n2)cc1
InChIInChI=1S/C10H8FN3/c1-7-2-4-8(5-3-7)9-12-6-13-10(11)14-9/h2-6H,1H3
InChIKeyVRCNMZKKXOBKRW-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.99
Rot. Bonds1

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

2-fluoro-4-(4-methylphenyl)-1,3,5-triazine (PubChem CID 174341953) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-1,3,5-triazine
PubChem CID174341953
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name2-fluoro-4-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2ncnc(F)n2)cc1
InChIInChI=1S/C10H8FN3/c1-7-2-4-8(5-3-7)9-12-6-13-10(11)14-9/h2-6H,1H3
InChIKeyVRCNMZKKXOBKRW-UHFFFAOYSA-N
XLogP1.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine (CID 174341953) is 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2ncnc(F)n2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is VRCNMZKKXOBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c1-7-2-4-8(5-3-7)9-12-6-13-10(11)14-9/h2-6H,1H3.
What are the key properties of 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine?
2-fluoro-4-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 189.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 174341953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).