2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde

C6H3BrF2O2 — CID 105482727

IUPAC2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1ccc(Br)o1
InChIInChI=1S/C6H3BrF2O2/c7-5-2-1-4(11-5)6(8,9)3-10/h1-3H
InChIKeyMLARQFCILPLSQQ-UHFFFAOYSA-N
MW224.99 g/mol
LogP2.33
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde

2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde (PubChem CID 105482727) has the molecular formula C6H3BrF2O2 and a molecular weight of 224.99 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde
PubChem CID105482727
Molecular FormulaC6H3BrF2O2
Molecular Weight224.99 g/mol
Exact Mass223.93
IUPAC Name2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1ccc(Br)o1
InChIInChI=1S/C6H3BrF2O2/c7-5-2-1-4(11-5)6(8,9)3-10/h1-3H
InChIKeyMLARQFCILPLSQQ-UHFFFAOYSA-N
XLogP2.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 52.33
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 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde (CID 105482727) is 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde is O=CC(F)(F)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde?
The InChIKey is MLARQFCILPLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2O2/c7-5-2-1-4(11-5)6(8,9)3-10/h1-3H.
What are the key properties of 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde?
2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde has a molecular weight of 224.99 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 105482727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).