2-bromo-2-fluoro-1-thiophen-3-ylethanone

C6H4BrFOS — CID 57030334

IUPAC2-bromo-2-fluoro-1-thiophen-3-ylethanone
SMILESO=C(c1ccsc1)C(F)Br
InChIInChI=1S/C6H4BrFOS/c7-6(8)5(9)4-1-2-10-3-4/h1-3,6H
InChIKeyYGYPZFWMUDLVRO-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.62
Rot. Bonds2

About 2-bromo-2-fluoro-1-thiophen-3-ylethanone

2-bromo-2-fluoro-1-thiophen-3-ylethanone (PubChem CID 57030334) has the molecular formula C6H4BrFOS and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-2-fluoro-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-bromo-2-fluoro-1-thiophen-3-ylethanone
PubChem CID57030334
Molecular FormulaC6H4BrFOS
Molecular Weight223.07 g/mol
Exact Mass221.92
IUPAC Name2-bromo-2-fluoro-1-thiophen-3-ylethanone
SMILESO=C(c1ccsc1)C(F)Br
InChIInChI=1S/C6H4BrFOS/c7-6(8)5(9)4-1-2-10-3-4/h1-3,6H
InChIKeyYGYPZFWMUDLVRO-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-2-fluoro-1-thiophen-3-ylethanone?
The IUPAC name of 2-bromo-2-fluoro-1-thiophen-3-ylethanone (CID 57030334) is 2-bromo-2-fluoro-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-bromo-2-fluoro-1-thiophen-3-ylethanone?
The canonical SMILES for 2-bromo-2-fluoro-1-thiophen-3-ylethanone is O=C(c1ccsc1)C(F)Br.
What is the InChIKey of 2-bromo-2-fluoro-1-thiophen-3-ylethanone?
The InChIKey is YGYPZFWMUDLVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFOS/c7-6(8)5(9)4-1-2-10-3-4/h1-3,6H.
What are the key properties of 2-bromo-2-fluoro-1-thiophen-3-ylethanone?
2-bromo-2-fluoro-1-thiophen-3-ylethanone has a molecular weight of 223.07 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-1-thiophen-3-ylethanone is sourced from PubChem (CID 57030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).