1-(4-bromothiophen-2-yl)-2,2-difluoroethanone

C6H3BrF2OS — CID 86648052

IUPAC1-(4-bromothiophen-2-yl)-2,2-difluoroethanone
SMILESO=C(c1cc(Br)cs1)C(F)F
InChIInChI=1S/C6H3BrF2OS/c7-3-1-4(11-2-3)5(10)6(8)9/h1-2,6H
InChIKeyGNCCQPNLXVLRQC-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone

1-(4-bromothiophen-2-yl)-2,2-difluoroethanone (PubChem CID 86648052) has the molecular formula C6H3BrF2OS and a molecular weight of 241.06 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2,2-difluoroethanone
PubChem CID86648052
Molecular FormulaC6H3BrF2OS
Molecular Weight241.06 g/mol
Exact Mass239.91
IUPAC Name1-(4-bromothiophen-2-yl)-2,2-difluoroethanone
SMILESO=C(c1cc(Br)cs1)C(F)F
InChIInChI=1S/C6H3BrF2OS/c7-3-1-4(11-2-3)5(10)6(8)9/h1-2,6H
InChIKeyGNCCQPNLXVLRQC-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone (CID 86648052) is 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone is O=C(c1cc(Br)cs1)C(F)F.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone?
The InChIKey is GNCCQPNLXVLRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2OS/c7-3-1-4(11-2-3)5(10)6(8)9/h1-2,6H.
What are the key properties of 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone?
1-(4-bromothiophen-2-yl)-2,2-difluoroethanone has a molecular weight of 241.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2,2-difluoroethanone is sourced from PubChem (CID 86648052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).