2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C16H12F3N5 — CID 683522

IUPAC2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N(c2ccccc2)c2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5/c17-16(18,19)13-21-14(20)23-15(22-13)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23)
InChIKeyYPLBRWHXHBIGAC-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.94
Rot. Bonds3

About 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 683522) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID683522
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N(c2ccccc2)c2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5/c17-16(18,19)13-21-14(20)23-15(22-13)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23)
InChIKeyYPLBRWHXHBIGAC-UHFFFAOYSA-N
XLogP3.94
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 683522) is 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N(c2ccccc2)c2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YPLBRWHXHBIGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c17-16(18,19)13-21-14(20)23-15(22-13)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,20,21,22,23).
What are the key properties of 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 331.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 683522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).