2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C16H11ClF3N5 — CID 14867469

IUPAC2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H11ClF3N5/c17-11-5-7-12(8-6-11)22-15-24-13(23-14(21)25-15)9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H3,21,22,23,24,25)
InChIKeyGFUVAQVSSSADRH-UHFFFAOYSA-N
MW365.75 g/mol
LogP4.54
Rot. Bonds3

About 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 14867469) has the molecular formula C16H11ClF3N5 and a molecular weight of 365.75 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID14867469
Molecular FormulaC16H11ClF3N5
Molecular Weight365.75 g/mol
Exact Mass365.07
IUPAC Name2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H11ClF3N5/c17-11-5-7-12(8-6-11)22-15-24-13(23-14(21)25-15)9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H3,21,22,23,24,25)
InChIKeyGFUVAQVSSSADRH-UHFFFAOYSA-N
XLogP4.54
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 14867469) is 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GFUVAQVSSSADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5/c17-11-5-7-12(8-6-11)22-15-24-13(23-14(21)25-15)9-1-3-10(4-2-9)16(18,19)20/h1-8H,(H3,21,22,23,24,25).
What are the key properties of 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 365.75 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14867469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).