1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene

C24H16F2O3 — CID 22338384

IUPAC1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene
SMILESFc1cccc(Oc2cccc(Oc3cccc(Oc4cccc(F)c4)c3)c2)c1
InChIInChI=1S/C24H16F2O3/c25-17-5-1-7-19(13-17)27-21-9-3-11-23(15-21)29-24-12-4-10-22(16-24)28-20-8-2-6-18(26)14-20/h1-16H
InChIKeyLMXQIMAMLPYEBX-UHFFFAOYSA-N
MW390.39 g/mol
LogP7.34
Rot. Bonds6

About 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene

1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene (PubChem CID 22338384) has the molecular formula C24H16F2O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene
PubChem CID22338384
Molecular FormulaC24H16F2O3
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene
SMILESFc1cccc(Oc2cccc(Oc3cccc(Oc4cccc(F)c4)c3)c2)c1
InChIInChI=1S/C24H16F2O3/c25-17-5-1-7-19(13-17)27-21-9-3-11-23(15-21)29-24-12-4-10-22(16-24)28-20-8-2-6-18(26)14-20/h1-16H
InChIKeyLMXQIMAMLPYEBX-UHFFFAOYSA-N
XLogP7.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene?
The IUPAC name of 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene (CID 22338384) is 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene?
The canonical SMILES for 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene is Fc1cccc(Oc2cccc(Oc3cccc(Oc4cccc(F)c4)c3)c2)c1.
What is the InChIKey of 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene?
The InChIKey is LMXQIMAMLPYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2O3/c25-17-5-1-7-19(13-17)27-21-9-3-11-23(15-21)29-24-12-4-10-22(16-24)28-20-8-2-6-18(26)14-20/h1-16H.
What are the key properties of 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene?
1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene has a molecular weight of 390.39 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene is sourced from PubChem (CID 22338384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).