2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone

C12H14Br2OS — CID 43344907

IUPAC2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(CC1CCCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H14Br2OS/c13-11-7-9(12(14)16-11)10(15)6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeySUHWIKGFWAXLDN-UHFFFAOYSA-N
MW366.12 g/mol
LogP5.43
Rot. Bonds3

About 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone

2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 43344907) has the molecular formula C12H14Br2OS and a molecular weight of 366.12 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID43344907
Molecular FormulaC12H14Br2OS
Molecular Weight366.12 g/mol
Exact Mass363.91
IUPAC Name2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(CC1CCCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H14Br2OS/c13-11-7-9(12(14)16-11)10(15)6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeySUHWIKGFWAXLDN-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.12
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylmethoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 114248654
1-(2,5-dibromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225680
2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 64640785
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
CID 43227146
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
CID 80531816
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43228989
1-(4-bromo-5-methylthiophen-2-yl)-2-cycloheptylethanone
CID 102826473
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclohexylethanone
CID 65279322
2-[1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43804803

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone (CID 43344907) is 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone is O=C(CC1CCCCC1)c1cc(Br)sc1Br.
What is the InChIKey of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is SUHWIKGFWAXLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2OS/c13-11-7-9(12(14)16-11)10(15)6-8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone?
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 366.12 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 43344907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).