2,3-dibromo-5,6-difluorobenzaldehyde

C7H2Br2F2O — CID 51000178

IUPAC2,3-dibromo-5,6-difluorobenzaldehyde
SMILESO=Cc1c(F)c(F)cc(Br)c1Br
InChIInChI=1S/C7H2Br2F2O/c8-4-1-5(10)7(11)3(2-12)6(4)9/h1-2H
InChIKeyFSVOKYWVYDGMNB-UHFFFAOYSA-N
MW299.90 g/mol
LogP3.30
Rot. Bonds1

About 2,3-dibromo-5,6-difluorobenzaldehyde

2,3-dibromo-5,6-difluorobenzaldehyde (PubChem CID 51000178) has the molecular formula C7H2Br2F2O and a molecular weight of 299.90 g/mol. Its IUPAC name is 2,3-dibromo-5,6-difluorobenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-5,6-difluorobenzaldehyde
PubChem CID51000178
Molecular FormulaC7H2Br2F2O
Molecular Weight299.90 g/mol
Exact Mass297.84
IUPAC Name2,3-dibromo-5,6-difluorobenzaldehyde
SMILESO=Cc1c(F)c(F)cc(Br)c1Br
InChIInChI=1S/C7H2Br2F2O/c8-4-1-5(10)7(11)3(2-12)6(4)9/h1-2H
InChIKeyFSVOKYWVYDGMNB-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.90
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5,6-difluorobenzaldehyde?
The IUPAC name of 2,3-dibromo-5,6-difluorobenzaldehyde (CID 51000178) is 2,3-dibromo-5,6-difluorobenzaldehyde.
What is the SMILES notation for 2,3-dibromo-5,6-difluorobenzaldehyde?
The canonical SMILES for 2,3-dibromo-5,6-difluorobenzaldehyde is O=Cc1c(F)c(F)cc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-5,6-difluorobenzaldehyde?
The InChIKey is FSVOKYWVYDGMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F2O/c8-4-1-5(10)7(11)3(2-12)6(4)9/h1-2H.
What are the key properties of 2,3-dibromo-5,6-difluorobenzaldehyde?
2,3-dibromo-5,6-difluorobenzaldehyde has a molecular weight of 299.90 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5,6-difluorobenzaldehyde is sourced from PubChem (CID 51000178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).