2-bromo-6,8-difluoronaphthalene-1-carbaldehyde

C11H5BrF2O — CID 86627318

IUPAC2-bromo-6,8-difluoronaphthalene-1-carbaldehyde
SMILESO=Cc1c(Br)ccc2cc(F)cc(F)c12
InChIInChI=1S/C11H5BrF2O/c12-9-2-1-6-3-7(13)4-10(14)11(6)8(9)5-15/h1-5H
InChIKeyMCMURNUNIZMUBI-UHFFFAOYSA-N
MW271.06 g/mol
LogP3.69
Rot. Bonds1

About 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde

2-bromo-6,8-difluoronaphthalene-1-carbaldehyde (PubChem CID 86627318) has the molecular formula C11H5BrF2O and a molecular weight of 271.06 g/mol. Its IUPAC name is 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6,8-difluoronaphthalene-1-carbaldehyde
PubChem CID86627318
Molecular FormulaC11H5BrF2O
Molecular Weight271.06 g/mol
Exact Mass269.95
IUPAC Name2-bromo-6,8-difluoronaphthalene-1-carbaldehyde
SMILESO=Cc1c(Br)ccc2cc(F)cc(F)c12
InChIInChI=1S/C11H5BrF2O/c12-9-2-1-6-3-7(13)4-10(14)11(6)8(9)5-15/h1-5H
InChIKeyMCMURNUNIZMUBI-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 53.69
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-bromo-6,8-difluoronaphthalene-1-carbaldehyde?
The IUPAC name of 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde (CID 86627318) is 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde?
The canonical SMILES for 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde is O=Cc1c(Br)ccc2cc(F)cc(F)c12.
What is the InChIKey of 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde?
The InChIKey is MCMURNUNIZMUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2O/c12-9-2-1-6-3-7(13)4-10(14)11(6)8(9)5-15/h1-5H.
What are the key properties of 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde?
2-bromo-6,8-difluoronaphthalene-1-carbaldehyde has a molecular weight of 271.06 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,8-difluoronaphthalene-1-carbaldehyde is sourced from PubChem (CID 86627318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).