2-bromo-1-(5-fluorothiophen-2-yl)ethanone

C6H4BrFOS — CID 59706947

IUPAC2-bromo-1-(5-fluorothiophen-2-yl)ethanone
SMILESO=C(CBr)c1ccc(F)s1
InChIInChI=1S/C6H4BrFOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKeyYLTLPVHHSDNDDI-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.46
Rot. Bonds2

About 2-bromo-1-(5-fluorothiophen-2-yl)ethanone

2-bromo-1-(5-fluorothiophen-2-yl)ethanone (PubChem CID 59706947) has the molecular formula C6H4BrFOS and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-1-(5-fluorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-fluorothiophen-2-yl)ethanone
PubChem CID59706947
Molecular FormulaC6H4BrFOS
Molecular Weight223.07 g/mol
Exact Mass221.92
IUPAC Name2-bromo-1-(5-fluorothiophen-2-yl)ethanone
SMILESO=C(CBr)c1ccc(F)s1
InChIInChI=1S/C6H4BrFOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChIKeyYLTLPVHHSDNDDI-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-fluorothiophen-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(5-fluorothiophen-2-yl)ethanone (CID 59706947) is 2-bromo-1-(5-fluorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-fluorothiophen-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(5-fluorothiophen-2-yl)ethanone is O=C(CBr)c1ccc(F)s1.
What is the InChIKey of 2-bromo-1-(5-fluorothiophen-2-yl)ethanone?
The InChIKey is YLTLPVHHSDNDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2.
What are the key properties of 2-bromo-1-(5-fluorothiophen-2-yl)ethanone?
2-bromo-1-(5-fluorothiophen-2-yl)ethanone has a molecular weight of 223.07 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-fluorothiophen-2-yl)ethanone is sourced from PubChem (CID 59706947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).