[4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite

C13H7BrF4O3 — CID 69088357

IUPAC[4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite
SMILESFOc1ccc(Oc2ccc(Br)cc2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H7BrF4O3/c14-8-1-3-9(4-2-8)19-11-6-5-10(21-18)7-12(11)20-13(15,16)17/h1-7H
InChIKeyYOOLEEBAGXJXCI-UHFFFAOYSA-N
MW367.09 g/mol
LogP5.40
Rot. Bonds4

About [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite

[4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite (PubChem CID 69088357) has the molecular formula C13H7BrF4O3 and a molecular weight of 367.09 g/mol. Its IUPAC name is [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite.

Molecular Properties

Compound Name[4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite
PubChem CID69088357
Molecular FormulaC13H7BrF4O3
Molecular Weight367.09 g/mol
Exact Mass365.95
IUPAC Name[4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite
SMILESFOc1ccc(Oc2ccc(Br)cc2)c(OC(F)(F)F)c1
InChIInChI=1S/C13H7BrF4O3/c14-8-1-3-9(4-2-8)19-11-6-5-10(21-18)7-12(11)20-13(15,16)17/h1-7H
InChIKeyYOOLEEBAGXJXCI-UHFFFAOYSA-N
XLogP5.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.09
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite?
The IUPAC name of [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite (CID 69088357) is [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite.
What is the SMILES notation for [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite?
The canonical SMILES for [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite is FOc1ccc(Oc2ccc(Br)cc2)c(OC(F)(F)F)c1.
What is the InChIKey of [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite?
The InChIKey is YOOLEEBAGXJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4O3/c14-8-1-3-9(4-2-8)19-11-6-5-10(21-18)7-12(11)20-13(15,16)17/h1-7H.
What are the key properties of [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite?
[4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite has a molecular weight of 367.09 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenoxy)-3-(trifluoromethoxy)phenyl] hypofluorite is sourced from PubChem (CID 69088357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).