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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Related Compounds

Benzoguanamine
CID 7064
Kyaphenine
CID 10305
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
1,3,5-Triazine-2,4-diamine, 6-phenyl-N,N,N',N'-tetramethyl-
CID 150777
2,4-Dichloro-6-phenyl-1,3,5-triazine
CID 15549
2-Chloro-4,6-diphenyl-1,3,5-triazine
CID 19698
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
3,5-Bis(4-fluorophenyl)-1,2,4-thiadiazole
CID 46834487
2,4-Diamino-6-(4-methylphenyl)-1,3,5-triazine
CID 29542

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).