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

C15H8ClF2N3 — CID 58752529

IUPAC2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(Cl)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H8ClF2N3/c16-15-20-13(9-1-5-11(17)6-2-9)19-14(21-15)10-3-7-12(18)8-4-10/h1-8H
InChIKeyMLVNYXXTYFTPRK-UHFFFAOYSA-N
MW303.70 g/mol
LogP4.14
Rot. Bonds2

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

2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine (PubChem CID 58752529) has the molecular formula C15H8ClF2N3 and a molecular weight of 303.70 g/mol. Its IUPAC name is 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine
PubChem CID58752529
Molecular FormulaC15H8ClF2N3
Molecular Weight303.70 g/mol
Exact Mass303.04
IUPAC Name2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(Cl)nc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H8ClF2N3/c16-15-20-13(9-1-5-11(17)6-2-9)19-14(21-15)10-3-7-12(18)8-4-10/h1-8H
InChIKeyMLVNYXXTYFTPRK-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine (CID 58752529) is 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine is Fc1ccc(-c2nc(Cl)nc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is MLVNYXXTYFTPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3/c16-15-20-13(9-1-5-11(17)6-2-9)19-14(21-15)10-3-7-12(18)8-4-10/h1-8H.
What are the key properties of 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 303.70 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 58752529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).