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

C20H14F6N4O — CID 76670542

IUPAC4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(C=Cc2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H14F6N4O/c21-19(22,23)12-31-18-29-16(10-9-13-5-2-1-3-6-13)28-17(30-18)27-15-8-4-7-14(11-15)20(24,25)26/h1-11H,12H2,(H,27,28,29,30)
InChIKeyJNRRJPQDFZDKRO-UHFFFAOYSA-N
MW440.35 g/mol
LogP5.75
Rot. Bonds6

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

4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 76670542) has the molecular formula C20H14F6N4O and a molecular weight of 440.35 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID76670542
Molecular FormulaC20H14F6N4O
Molecular Weight440.35 g/mol
Exact Mass440.11
IUPAC Name4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(C=Cc2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H14F6N4O/c21-19(22,23)12-31-18-29-16(10-9-13-5-2-1-3-6-13)28-17(30-18)27-15-8-4-7-14(11-15)20(24,25)26/h1-11H,12H2,(H,27,28,29,30)
InChIKeyJNRRJPQDFZDKRO-UHFFFAOYSA-N
XLogP5.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 76670542) is 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(C=Cc2ccccc2)nc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is JNRRJPQDFZDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N4O/c21-19(22,23)12-31-18-29-16(10-9-13-5-2-1-3-6-13)28-17(30-18)27-15-8-4-7-14(11-15)20(24,25)26/h1-11H,12H2,(H,27,28,29,30).
What are the key properties of 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 440.35 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 76670542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).