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

C11H8ClF3N4O — CID 122641806

IUPAC4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Oc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H8ClF3N4O/c1-5-17-9(16)19-10(18-5)20-8-3-2-6(4-7(8)12)11(13,14)15/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyGHVACWVHMOIJPE-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.23
Rot. Bonds2

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

4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 122641806) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine
PubChem CID122641806
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Oc2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H8ClF3N4O/c1-5-17-9(16)19-10(18-5)20-8-3-2-6(4-7(8)12)11(13,14)15/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyGHVACWVHMOIJPE-UHFFFAOYSA-N
XLogP3.23
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine (CID 122641806) is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(Oc2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is GHVACWVHMOIJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c1-5-17-9(16)19-10(18-5)20-8-3-2-6(4-7(8)12)11(13,14)15/h2-4H,1H3,(H2,16,17,18,19).
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 304.66 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 122641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).