1-fluoro-3,5-bis(3-fluorophenoxy)benzene

C18H11F3O2 — CID 22022525

IUPAC1-fluoro-3,5-bis(3-fluorophenoxy)benzene
SMILESFc1cccc(Oc2cc(F)cc(Oc3cccc(F)c3)c2)c1
InChIInChI=1S/C18H11F3O2/c19-12-3-1-5-15(7-12)22-17-9-14(21)10-18(11-17)23-16-6-2-4-13(20)8-16/h1-11H
InChIKeyFENDQJATPANUFH-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.69
Rot. Bonds4

About 1-fluoro-3,5-bis(3-fluorophenoxy)benzene

1-fluoro-3,5-bis(3-fluorophenoxy)benzene (PubChem CID 22022525) has the molecular formula C18H11F3O2 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-fluoro-3,5-bis(3-fluorophenoxy)benzene.

Molecular Properties

Compound Name1-fluoro-3,5-bis(3-fluorophenoxy)benzene
PubChem CID22022525
Molecular FormulaC18H11F3O2
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name1-fluoro-3,5-bis(3-fluorophenoxy)benzene
SMILESFc1cccc(Oc2cc(F)cc(Oc3cccc(F)c3)c2)c1
InChIInChI=1S/C18H11F3O2/c19-12-3-1-5-15(7-12)22-17-9-14(21)10-18(11-17)23-16-6-2-4-13(20)8-16/h1-11H
InChIKeyFENDQJATPANUFH-UHFFFAOYSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.28
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-bis(3-fluorophenoxy)benzene?
The IUPAC name of 1-fluoro-3,5-bis(3-fluorophenoxy)benzene (CID 22022525) is 1-fluoro-3,5-bis(3-fluorophenoxy)benzene.
What is the SMILES notation for 1-fluoro-3,5-bis(3-fluorophenoxy)benzene?
The canonical SMILES for 1-fluoro-3,5-bis(3-fluorophenoxy)benzene is Fc1cccc(Oc2cc(F)cc(Oc3cccc(F)c3)c2)c1.
What is the InChIKey of 1-fluoro-3,5-bis(3-fluorophenoxy)benzene?
The InChIKey is FENDQJATPANUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O2/c19-12-3-1-5-15(7-12)22-17-9-14(21)10-18(11-17)23-16-6-2-4-13(20)8-16/h1-11H.
What are the key properties of 1-fluoro-3,5-bis(3-fluorophenoxy)benzene?
1-fluoro-3,5-bis(3-fluorophenoxy)benzene has a molecular weight of 316.28 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-bis(3-fluorophenoxy)benzene is sourced from PubChem (CID 22022525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).