1-(4-bromothiophen-3-yl)-2-fluoroethanone

C6H4BrFOS — CID 19377370

IUPAC1-(4-bromothiophen-3-yl)-2-fluoroethanone
SMILESO=C(CF)c1cscc1Br
InChIInChI=1S/C6H4BrFOS/c7-5-3-10-2-4(5)6(9)1-8/h2-3H,1H2
InChIKeyMDRXQIGXQDRCEQ-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.66
Rot. Bonds2

About 1-(4-bromothiophen-3-yl)-2-fluoroethanone

1-(4-bromothiophen-3-yl)-2-fluoroethanone (PubChem CID 19377370) has the molecular formula C6H4BrFOS and a molecular weight of 223.07 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-fluoroethanone
PubChem CID19377370
Molecular FormulaC6H4BrFOS
Molecular Weight223.07 g/mol
Exact Mass221.92
IUPAC Name1-(4-bromothiophen-3-yl)-2-fluoroethanone
SMILESO=C(CF)c1cscc1Br
InChIInChI=1S/C6H4BrFOS/c7-5-3-10-2-4(5)6(9)1-8/h2-3H,1H2
InChIKeyMDRXQIGXQDRCEQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-fluoroethanone?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-fluoroethanone (CID 19377370) is 1-(4-bromothiophen-3-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-fluoroethanone?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-fluoroethanone is O=C(CF)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-fluoroethanone?
The InChIKey is MDRXQIGXQDRCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFOS/c7-5-3-10-2-4(5)6(9)1-8/h2-3H,1H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-fluoroethanone?
1-(4-bromothiophen-3-yl)-2-fluoroethanone has a molecular weight of 223.07 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-fluoroethanone is sourced from PubChem (CID 19377370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).