4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine

C12H9ClF4N4 — CID 107290404

IUPAC4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9ClF4N4/c1-21(2)11-19-9(18-10(13)20-11)6-3-4-8(14)7(5-6)12(15,16)17/h3-5H,1-2H3
InChIKeyOHNDFVQYXUMJJT-UHFFFAOYSA-N
MW320.68 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 107290404) has the molecular formula C12H9ClF4N4 and a molecular weight of 320.68 g/mol. Its IUPAC name is 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID107290404
Molecular FormulaC12H9ClF4N4
Molecular Weight320.68 g/mol
Exact Mass320.05
IUPAC Name4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H9ClF4N4/c1-21(2)11-19-9(18-10(13)20-11)6-3-4-8(14)7(5-6)12(15,16)17/h3-5H,1-2H3
InChIKeyOHNDFVQYXUMJJT-UHFFFAOYSA-N
XLogP3.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.68
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine (CID 107290404) is 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is OHNDFVQYXUMJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N4/c1-21(2)11-19-9(18-10(13)20-11)6-3-4-8(14)7(5-6)12(15,16)17/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 320.68 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107290404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).