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

C16H15ClFN3 — CID 141072900

IUPAC6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine
SMILESCc1ccc(N2CN=C(Cl)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C16H15ClFN3/c1-12-2-6-14(7-3-12)20-10-19-16(17)21(11-20)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3
InChIKeyHNKDYRDGGODKOL-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.97
Rot. Bonds2

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

6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine (PubChem CID 141072900) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine
PubChem CID141072900
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine
SMILESCc1ccc(N2CN=C(Cl)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C16H15ClFN3/c1-12-2-6-14(7-3-12)20-10-19-16(17)21(11-20)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3
InChIKeyHNKDYRDGGODKOL-UHFFFAOYSA-N
XLogP3.97
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
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CID 58717201
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene
CID 71258841
(1R,9R,13R)-13-(2-chlorophenyl)-5,11-bis(4-methylphenyl)-8-sulfanylidene-3,5,7,11-tetrazatricyclo[7.3.1.02,7]tridec-2-ene-1,9-dicarbonitrile
CID 124771248
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
CID 53037868
(7E)-3-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 155542372
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
1-(4-bromophenyl)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,5-triazinane
CID 130393355
1,3-bis(4-methylphenyl)-2H-imidazo[4,5-b]pyrazine
CID 140758501
5-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 20632659
2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene
CID 174441356

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine (CID 141072900) is 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine is Cc1ccc(N2CN=C(Cl)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine?
The InChIKey is HNKDYRDGGODKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-12-2-6-14(7-3-12)20-10-19-16(17)21(11-20)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3.
What are the key properties of 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine?
6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine has a molecular weight of 303.77 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 141072900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).