2-(2-bromophenyl)-5-fluorobenzaldehyde

C13H8BrFO — CID 71600185

IUPAC2-(2-bromophenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1-c1ccccc1Br
InChIInChI=1S/C13H8BrFO/c14-13-4-2-1-3-12(13)11-6-5-10(15)7-9(11)8-16/h1-8H
InChIKeyCHGUFTZOOJZYNS-UHFFFAOYSA-N
MW279.11 g/mol
LogP4.07
Rot. Bonds2

About 2-(2-bromophenyl)-5-fluorobenzaldehyde

2-(2-bromophenyl)-5-fluorobenzaldehyde (PubChem CID 71600185) has the molecular formula C13H8BrFO and a molecular weight of 279.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-fluorobenzaldehyde
PubChem CID71600185
Molecular FormulaC13H8BrFO
Molecular Weight279.11 g/mol
Exact Mass277.97
IUPAC Name2-(2-bromophenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1-c1ccccc1Br
InChIInChI=1S/C13H8BrFO/c14-13-4-2-1-3-12(13)11-6-5-10(15)7-9(11)8-16/h1-8H
InChIKeyCHGUFTZOOJZYNS-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2-bromophenyl)-5-fluorobenzaldehyde (CID 71600185) is 2-(2-bromophenyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2-bromophenyl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2-bromophenyl)-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1-c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-5-fluorobenzaldehyde?
The InChIKey is CHGUFTZOOJZYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO/c14-13-4-2-1-3-12(13)11-6-5-10(15)7-9(11)8-16/h1-8H.
What are the key properties of 2-(2-bromophenyl)-5-fluorobenzaldehyde?
2-(2-bromophenyl)-5-fluorobenzaldehyde has a molecular weight of 279.11 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-fluorobenzaldehyde is sourced from PubChem (CID 71600185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).