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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Related Compounds

3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532576
(4-bromo-5-methylthiophen-2-yl)-cycloheptylmethanone
CID 102826592
(4,5-dibromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787316
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126449
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone
CID 114976416
4,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-2-carboxamide
CID 78906618
(4-bromo-5-methylthiophen-2-yl)-(oxan-4-yl)methanone
CID 102826639
cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115811385
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115811428
1-(4,5-dibromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 80538896

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).