5-bromo-2-fluoro-3-phenylbenzaldehyde

C13H8BrFO — CID 163198089

IUPAC5-bromo-2-fluoro-3-phenylbenzaldehyde
SMILESO=Cc1cc(Br)cc(-c2ccccc2)c1F
InChIInChI=1S/C13H8BrFO/c14-11-6-10(8-16)13(15)12(7-11)9-4-2-1-3-5-9/h1-8H
InChIKeyADNNEVURGAYOFV-UHFFFAOYSA-N
MW279.11 g/mol
LogP4.07
Rot. Bonds2

About 5-bromo-2-fluoro-3-phenylbenzaldehyde

5-bromo-2-fluoro-3-phenylbenzaldehyde (PubChem CID 163198089) has the molecular formula C13H8BrFO and a molecular weight of 279.11 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-phenylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-phenylbenzaldehyde
PubChem CID163198089
Molecular FormulaC13H8BrFO
Molecular Weight279.11 g/mol
Exact Mass277.97
IUPAC Name5-bromo-2-fluoro-3-phenylbenzaldehyde
SMILESO=Cc1cc(Br)cc(-c2ccccc2)c1F
InChIInChI=1S/C13H8BrFO/c14-11-6-10(8-16)13(15)12(7-11)9-4-2-1-3-5-9/h1-8H
InChIKeyADNNEVURGAYOFV-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 5-bromo-2-fluoro-3-phenylbenzaldehyde?
The IUPAC name of 5-bromo-2-fluoro-3-phenylbenzaldehyde (CID 163198089) is 5-bromo-2-fluoro-3-phenylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-fluoro-3-phenylbenzaldehyde?
The canonical SMILES for 5-bromo-2-fluoro-3-phenylbenzaldehyde is O=Cc1cc(Br)cc(-c2ccccc2)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-phenylbenzaldehyde?
The InChIKey is ADNNEVURGAYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO/c14-11-6-10(8-16)13(15)12(7-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-bromo-2-fluoro-3-phenylbenzaldehyde?
5-bromo-2-fluoro-3-phenylbenzaldehyde 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 5-bromo-2-fluoro-3-phenylbenzaldehyde is sourced from PubChem (CID 163198089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).