2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde

C6H4BrFOS — CID 87697588

IUPAC2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde
SMILESO=CC(F)c1ccc(Br)s1
InChIInChI=1S/C6H4BrFOS/c7-6-2-1-5(10-6)4(8)3-9/h1-4H
InChIKeyZKGFCWPQSJUMIZ-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.72
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde

2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde (PubChem CID 87697588) has the molecular formula C6H4BrFOS and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde
PubChem CID87697588
Molecular FormulaC6H4BrFOS
Molecular Weight223.07 g/mol
Exact Mass221.92
IUPAC Name2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde
SMILESO=CC(F)c1ccc(Br)s1
InChIInChI=1S/C6H4BrFOS/c7-6-2-1-5(10-6)4(8)3-9/h1-4H
InChIKeyZKGFCWPQSJUMIZ-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.72
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-bromothiophen-2-yl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde (CID 87697588) is 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde is O=CC(F)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde?
The InChIKey is ZKGFCWPQSJUMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFOS/c7-6-2-1-5(10-6)4(8)3-9/h1-4H.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde?
2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde has a molecular weight of 223.07 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-fluoroacetaldehyde is sourced from PubChem (CID 87697588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).