2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

C17H11F6N3 — CID 569130

IUPAC2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C17H11F6N3/c18-16(19,20)15(17(21,22)23)25-13(11-7-3-1-4-8-11)24-14(26-15)12-9-5-2-6-10-12/h1-10H,(H,24,25,26)
InChIKeyUDWCMBHZUNQXPA-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.30
Rot. Bonds2

About 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (PubChem CID 569130) has the molecular formula C17H11F6N3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.

Molecular Properties

Compound Name2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
PubChem CID569130
Molecular FormulaC17H11F6N3
Molecular Weight371.28 g/mol
Exact Mass371.09
IUPAC Name2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)NC(c2ccccc2)=N1
InChIInChI=1S/C17H11F6N3/c18-16(19,20)15(17(21,22)23)25-13(11-7-3-1-4-8-11)24-14(26-15)12-9-5-2-6-10-12/h1-10H,(H,24,25,26)
InChIKeyUDWCMBHZUNQXPA-UHFFFAOYSA-N
XLogP4.30
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The IUPAC name of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (CID 569130) is 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.
What is the SMILES notation for 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The canonical SMILES for 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)NC(c2ccccc2)=N1.
What is the InChIKey of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The InChIKey is UDWCMBHZUNQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3/c18-16(19,20)15(17(21,22)23)25-13(11-7-3-1-4-8-11)24-14(26-15)12-9-5-2-6-10-12/h1-10H,(H,24,25,26).
What are the key properties of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine has a molecular weight of 371.28 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is sourced from PubChem (CID 569130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).