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

C18H14F4N4O — CID 58039317

IUPAC4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F4N4O/c1-2-27-17-25-15(11-6-8-13(19)9-7-11)24-16(26-17)23-14-5-3-4-12(10-14)18(20,21)22/h3-10H,2H2,1H3,(H,23,24,25,26)
InChIKeyCTTQZWLBPBSVDY-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.84
Rot. Bonds5

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

4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 58039317) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID58039317
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC Name4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F4N4O/c1-2-27-17-25-15(11-6-8-13(19)9-7-11)24-16(26-17)23-14-5-3-4-12(10-14)18(20,21)22/h3-10H,2H2,1H3,(H,23,24,25,26)
InChIKeyCTTQZWLBPBSVDY-UHFFFAOYSA-N
XLogP4.84
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 58039317) is 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is CTTQZWLBPBSVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-2-27-17-25-15(11-6-8-13(19)9-7-11)24-16(26-17)23-14-5-3-4-12(10-14)18(20,21)22/h3-10H,2H2,1H3,(H,23,24,25,26).
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 378.33 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).