4-(4-bromophenoxy)-3,5-difluorobenzaldehyde

C13H7BrF2O2 — CID 55146396

IUPAC4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(Oc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H7BrF2O2/c14-9-1-3-10(4-2-9)18-13-11(15)5-8(7-17)6-12(13)16/h1-7H
InChIKeyRADULCSNYJDXEC-UHFFFAOYSA-N
MW313.10 g/mol
LogP4.33
Rot. Bonds3

About 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde

4-(4-bromophenoxy)-3,5-difluorobenzaldehyde (PubChem CID 55146396) has the molecular formula C13H7BrF2O2 and a molecular weight of 313.10 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
PubChem CID55146396
Molecular FormulaC13H7BrF2O2
Molecular Weight313.10 g/mol
Exact Mass311.96
IUPAC Name4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(Oc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H7BrF2O2/c14-9-1-3-10(4-2-9)18-13-11(15)5-8(7-17)6-12(13)16/h1-7H
InChIKeyRADULCSNYJDXEC-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde (CID 55146396) is 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde is O=Cc1cc(F)c(Oc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde?
The InChIKey is RADULCSNYJDXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O2/c14-9-1-3-10(4-2-9)18-13-11(15)5-8(7-17)6-12(13)16/h1-7H.
What are the key properties of 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde?
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde has a molecular weight of 313.10 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 55146396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).