cyclobutyl-(4,5-dibromothiophen-2-yl)methanone

C9H8Br2OS — CID 80532639

IUPACcyclobutyl-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1CCC1
InChIInChI=1S/C9H8Br2OS/c10-6-4-7(13-9(6)11)8(12)5-2-1-3-5/h4-5H,1-3H2
InChIKeyVXXOGLOXTIDCPA-UHFFFAOYSA-N
MW324.04 g/mol
LogP4.26
Rot. Bonds2

About cyclobutyl-(4,5-dibromothiophen-2-yl)methanone

cyclobutyl-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 80532639) has the molecular formula C9H8Br2OS and a molecular weight of 324.04 g/mol. Its IUPAC name is cyclobutyl-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4,5-dibromothiophen-2-yl)methanone
PubChem CID80532639
Molecular FormulaC9H8Br2OS
Molecular Weight324.04 g/mol
Exact Mass321.87
IUPAC Namecyclobutyl-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1CCC1
InChIInChI=1S/C9H8Br2OS/c10-6-4-7(13-9(6)11)8(12)5-2-1-3-5/h4-5H,1-3H2
InChIKeyVXXOGLOXTIDCPA-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.04
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of cyclobutyl-(4,5-dibromothiophen-2-yl)methanone (CID 80532639) is cyclobutyl-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for cyclobutyl-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for cyclobutyl-(4,5-dibromothiophen-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)C1CCC1.
What is the InChIKey of cyclobutyl-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is VXXOGLOXTIDCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2OS/c10-6-4-7(13-9(6)11)8(12)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of cyclobutyl-(4,5-dibromothiophen-2-yl)methanone?
cyclobutyl-(4,5-dibromothiophen-2-yl)methanone has a molecular weight of 324.04 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 80532639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).