2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone

C10H9BrF2OS — CID 131162528

IUPAC2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)C1CC(F)(F)C1
InChIInChI=1S/C10H9BrF2OS/c11-7-1-8(15-5-7)2-9(14)6-3-10(12,13)4-6/h1,5-6H,2-4H2
InChIKeyGLNUQBSTJMMUQC-UHFFFAOYSA-N
MW295.15 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone

2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone (PubChem CID 131162528) has the molecular formula C10H9BrF2OS and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone
PubChem CID131162528
Molecular FormulaC10H9BrF2OS
Molecular Weight295.15 g/mol
Exact Mass293.95
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)C1CC(F)(F)C1
InChIInChI=1S/C10H9BrF2OS/c11-7-1-8(15-5-7)2-9(14)6-3-10(12,13)4-6/h1,5-6H,2-4H2
InChIKeyGLNUQBSTJMMUQC-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone (CID 131162528) is 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone is O=C(Cc1cc(Br)cs1)C1CC(F)(F)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone?
The InChIKey is GLNUQBSTJMMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2OS/c11-7-1-8(15-5-7)2-9(14)6-3-10(12,13)4-6/h1,5-6H,2-4H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone has a molecular weight of 295.15 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 131162528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).