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

C12H8F6N4 — CID 58040029

IUPAC4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8F6N4/c13-11(14,15)7-3-1-2-6(4-7)5-8-20-9(12(16,17)18)22-10(19)21-8/h1-4H,5H2,(H2,19,20,21,22)
InChIKeyLQYIXFKKXJQAPI-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.08
Rot. Bonds2

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

4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58040029) has the molecular formula C12H8F6N4 and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58040029
Molecular FormulaC12H8F6N4
Molecular Weight322.21 g/mol
Exact Mass322.07
IUPAC Name4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8F6N4/c13-11(14,15)7-3-1-2-6(4-7)5-8-20-9(12(16,17)18)22-10(19)21-8/h1-4H,5H2,(H2,19,20,21,22)
InChIKeyLQYIXFKKXJQAPI-UHFFFAOYSA-N
XLogP3.08
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 115094254
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
CID 63868198
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58040029) is 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is Nc1nc(Cc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is LQYIXFKKXJQAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N4/c13-11(14,15)7-3-1-2-6(4-7)5-8-20-9(12(16,17)18)22-10(19)21-8/h1-4H,5H2,(H2,19,20,21,22).
What are the key properties of 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58040029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).