2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine

C24H15F5N2O — CID 11669393

IUPAC2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
SMILESFc1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C24H15F5N2O/c25-17-5-1-3-15(11-17)22-13-20(14-23(31-22)16-4-2-6-18(26)12-16)30-19-7-9-21(10-8-19)32-24(27,28)29/h1-14H,(H,30,31)
InChIKeyLZGMZVZRKBLUAN-UHFFFAOYSA-N
MW442.39 g/mol
LogP7.34
Rot. Bonds5

About 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine

2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine (PubChem CID 11669393) has the molecular formula C24H15F5N2O and a molecular weight of 442.39 g/mol. Its IUPAC name is 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
PubChem CID11669393
Molecular FormulaC24H15F5N2O
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
SMILESFc1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C24H15F5N2O/c25-17-5-1-3-15(11-17)22-13-20(14-23(31-22)16-4-2-6-18(26)12-16)30-19-7-9-21(10-8-19)32-24(27,28)29/h1-14H,(H,30,31)
InChIKeyLZGMZVZRKBLUAN-UHFFFAOYSA-N
XLogP7.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
The IUPAC name of 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine (CID 11669393) is 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine.
What is the SMILES notation for 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
The canonical SMILES for 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine is Fc1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
The InChIKey is LZGMZVZRKBLUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N2O/c25-17-5-1-3-15(11-17)22-13-20(14-23(31-22)16-4-2-6-18(26)12-16)30-19-7-9-21(10-8-19)32-24(27,28)29/h1-14H,(H,30,31).
What are the key properties of 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine has a molecular weight of 442.39 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine is sourced from PubChem (CID 11669393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).