4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine

C11H8BrF3N4 — CID 63868448

IUPAC4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C11H8BrF3N4/c1-5-17-9(19-10(16)18-5)7-3-2-6(12)4-8(7)11(13,14)15/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyLTIOGVRZAJSJSI-UHFFFAOYSA-N
MW333.11 g/mol
LogP3.21
Rot. Bonds1

About 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine

4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 63868448) has the molecular formula C11H8BrF3N4 and a molecular weight of 333.11 g/mol. Its IUPAC name is 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID63868448
Molecular FormulaC11H8BrF3N4
Molecular Weight333.11 g/mol
Exact Mass331.99
IUPAC Name4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C11H8BrF3N4/c1-5-17-9(19-10(16)18-5)7-3-2-6(12)4-8(7)11(13,14)15/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyLTIOGVRZAJSJSI-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine (CID 63868448) is 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2ccc(Br)cc2C(F)(F)F)n1.
What is the InChIKey of 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is LTIOGVRZAJSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N4/c1-5-17-9(19-10(16)18-5)7-3-2-6(12)4-8(7)11(13,14)15/h2-4H,1H3,(H2,16,17,18,19).
What are the key properties of 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine?
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 333.11 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).