2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine

C25H16F7N3 — CID 87237269

IUPAC2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
SMILESFc1ccc(Cc2nc(Cc3cccc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C25H16F7N3/c26-20-9-7-15(8-10-20)12-21-33-22(13-16-3-1-5-18(11-16)24(27,28)29)35-23(34-21)17-4-2-6-19(14-17)25(30,31)32/h1-11,14H,12-13H2
InChIKeyQBDWWXCAQOGMKN-UHFFFAOYSA-N
MW491.41 g/mol
LogP6.90
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine

2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine (PubChem CID 87237269) has the molecular formula C25H16F7N3 and a molecular weight of 491.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
PubChem CID87237269
Molecular FormulaC25H16F7N3
Molecular Weight491.41 g/mol
Exact Mass491.12
IUPAC Name2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
SMILESFc1ccc(Cc2nc(Cc3cccc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C25H16F7N3/c26-20-9-7-15(8-10-20)12-21-33-22(13-16-3-1-5-18(11-16)24(27,28)29)35-23(34-21)17-4-2-6-19(14-17)25(30,31)32/h1-11,14H,12-13H2
InChIKeyQBDWWXCAQOGMKN-UHFFFAOYSA-N
XLogP6.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.41
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-4-[(4-piperidin-1-ylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 67016120
2-(pyridin-4-ylmethyl)-4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 87237426
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
6-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985644
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 18356785
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole
CID 142406867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine (CID 87237269) is 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine is Fc1ccc(Cc2nc(Cc3cccc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The InChIKey is QBDWWXCAQOGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F7N3/c26-20-9-7-15(8-10-20)12-21-33-22(13-16-3-1-5-18(11-16)24(27,28)29)35-23(34-21)17-4-2-6-19(14-17)25(30,31)32/h1-11,14H,12-13H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine has a molecular weight of 491.41 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine is sourced from PubChem (CID 87237269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).