4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline

C18H12F4N2O2 — CID 1241482

IUPAC4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline
SMILESNc1ccc(Oc2c(F)c(F)c(Oc3ccc(N)cc3)c(F)c2F)cc1
InChIInChI=1S/C18H12F4N2O2/c19-13-15(21)18(26-12-7-3-10(24)4-8-12)16(22)14(20)17(13)25-11-5-1-9(23)2-6-11/h1-8H,23-24H2
InChIKeyOLYSJNQUDPLGNG-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.99
Rot. Bonds4

About 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline

4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline (PubChem CID 1241482) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline
PubChem CID1241482
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline
SMILESNc1ccc(Oc2c(F)c(F)c(Oc3ccc(N)cc3)c(F)c2F)cc1
InChIInChI=1S/C18H12F4N2O2/c19-13-15(21)18(26-12-7-3-10(24)4-8-12)16(22)14(20)17(13)25-11-5-1-9(23)2-6-11/h1-8H,23-24H2
InChIKeyOLYSJNQUDPLGNG-UHFFFAOYSA-N
XLogP4.99
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline?
The IUPAC name of 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline (CID 1241482) is 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline.
What is the SMILES notation for 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline?
The canonical SMILES for 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline is Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(N)cc3)c(F)c2F)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline?
The InChIKey is OLYSJNQUDPLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c19-13-15(21)18(26-12-7-3-10(24)4-8-12)16(22)14(20)17(13)25-11-5-1-9(23)2-6-11/h1-8H,23-24H2.
What are the key properties of 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline?
4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline has a molecular weight of 364.30 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline is sourced from PubChem (CID 1241482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).