2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine

C16H11F2N3 — CID 134472353

IUPAC2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H11F2N3/c1-10-19-15(11-4-2-6-13(17)8-11)21-16(20-10)12-5-3-7-14(18)9-12/h2-9H,1H3
InChIKeyOTMLDRCTHPLJII-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.79
Rot. Bonds2

About 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine

2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine (PubChem CID 134472353) has the molecular formula C16H11F2N3 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
PubChem CID134472353
Molecular FormulaC16H11F2N3
Molecular Weight283.28 g/mol
Exact Mass283.09
IUPAC Name2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H11F2N3/c1-10-19-15(11-4-2-6-13(17)8-11)21-16(20-10)12-5-3-7-14(18)9-12/h2-9H,1H3
InChIKeyOTMLDRCTHPLJII-UHFFFAOYSA-N
XLogP3.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine (CID 134472353) is 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine is Cc1nc(-c2cccc(F)c2)nc(-c2cccc(F)c2)n1.
What is the InChIKey of 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine?
The InChIKey is OTMLDRCTHPLJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3/c1-10-19-15(11-4-2-6-13(17)8-11)21-16(20-10)12-5-3-7-14(18)9-12/h2-9H,1H3.
What are the key properties of 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine?
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine has a molecular weight of 283.28 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 134472353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).