1,3-bis(4-fluorophenoxy)benzene

C18H12F2O2 — CID 22338557

IUPAC1,3-bis(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C18H12F2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H
InChIKeyYYDVTRRBDPDFJD-UHFFFAOYSA-N
MW298.29 g/mol
LogP5.55
Rot. Bonds4

About 1,3-bis(4-fluorophenoxy)benzene

1,3-bis(4-fluorophenoxy)benzene (PubChem CID 22338557) has the molecular formula C18H12F2O2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name1,3-bis(4-fluorophenoxy)benzene
PubChem CID22338557
Molecular FormulaC18H12F2O2
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name1,3-bis(4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C18H12F2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H
InChIKeyYYDVTRRBDPDFJD-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.29
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenoxy)benzene?
The IUPAC name of 1,3-bis(4-fluorophenoxy)benzene (CID 22338557) is 1,3-bis(4-fluorophenoxy)benzene.
What is the SMILES notation for 1,3-bis(4-fluorophenoxy)benzene?
The canonical SMILES for 1,3-bis(4-fluorophenoxy)benzene is Fc1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenoxy)benzene?
The InChIKey is YYDVTRRBDPDFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H.
What are the key properties of 1,3-bis(4-fluorophenoxy)benzene?
1,3-bis(4-fluorophenoxy)benzene has a molecular weight of 298.29 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenoxy)benzene is sourced from PubChem (CID 22338557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).