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

C18H14F4N4O2 — CID 58040057

IUPAC4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C18H14F4N4O2/c1-2-27-16-24-15(23-13-7-3-5-11(9-13)18(20,21)22)25-17(26-16)28-14-8-4-6-12(19)10-14/h3-10H,2H2,1H3,(H,23,24,25,26)
InChIKeyIFXFTWILGYNGLI-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.96
Rot. Bonds6

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

4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 58040057) has the molecular formula C18H14F4N4O2 and a molecular weight of 394.33 g/mol. Its IUPAC name is 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID58040057
Molecular FormulaC18H14F4N4O2
Molecular Weight394.33 g/mol
Exact Mass394.11
IUPAC Name4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C18H14F4N4O2/c1-2-27-16-24-15(23-13-7-3-5-11(9-13)18(20,21)22)25-17(26-16)28-14-8-4-6-12(19)10-14/h3-10H,2H2,1H3,(H,23,24,25,26)
InChIKeyIFXFTWILGYNGLI-UHFFFAOYSA-N
XLogP4.96
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
[1,3,5]Triazine-2,4-diamine, 6-chloro-N-(4-methoxyphenyl)-N'-(3-trifluoromethylphenyl)-
CID 3620709
4-[[4-Amino-6-(2,4,6-trifluorophenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486414
N2-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 86574122
3-[[4-Amino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 86574123
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
4-(2-fluorophenoxy)-N-(4-fluorophenyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
CID 1259818
4-{[4-[(4-Fluorophenyl)amino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]oxy}benzonitrile
CID 2214329
2-N-(4-fluorophenyl)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145983481
2-N-(4-fluorophenyl)-6-(4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145983821
6-(4-fluorophenoxy)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 145984114
6-(4-fluorophenoxy)-N'-(4-fluorophenyl)-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 882000

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 58040057) is 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(Oc2cccc(F)c2)n1.
What is the InChIKey of 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is IFXFTWILGYNGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2/c1-2-27-16-24-15(23-13-7-3-5-11(9-13)18(20,21)22)25-17(26-16)28-14-8-4-6-12(19)10-14/h3-10H,2H2,1H3,(H,23,24,25,26).
What are the key properties of 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 394.33 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58040057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).