1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene

C12H4BrF5O — CID 29052620

IUPAC1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(Oc2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C12H4BrF5O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKeyRTZZGAWCRUPERU-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.94
Rot. Bonds2

About 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene

1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene (PubChem CID 29052620) has the molecular formula C12H4BrF5O and a molecular weight of 339.06 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
PubChem CID29052620
Molecular FormulaC12H4BrF5O
Molecular Weight339.06 g/mol
Exact Mass337.94
IUPAC Name1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(Oc2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C12H4BrF5O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKeyRTZZGAWCRUPERU-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene (CID 29052620) is 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(Oc2ccc(Br)cc2)c(F)c1F.
What is the InChIKey of 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is RTZZGAWCRUPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrF5O/c13-5-1-3-6(4-2-5)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H.
What are the key properties of 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene?
1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 339.06 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 29052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).