cyclooctyl-(2,5-dibromothiophen-3-yl)methanone

C13H16Br2OS — CID 65018538

IUPACcyclooctyl-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCCCCC1
InChIInChI=1S/C13H16Br2OS/c14-11-8-10(13(15)17-11)12(16)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2
InChIKeyLYHWVFCOPFQDLE-UHFFFAOYSA-N
MW380.15 g/mol
LogP5.82
Rot. Bonds2

About cyclooctyl-(2,5-dibromothiophen-3-yl)methanone

cyclooctyl-(2,5-dibromothiophen-3-yl)methanone (PubChem CID 65018538) has the molecular formula C13H16Br2OS and a molecular weight of 380.15 g/mol. Its IUPAC name is cyclooctyl-(2,5-dibromothiophen-3-yl)methanone.

Molecular Properties

Compound Namecyclooctyl-(2,5-dibromothiophen-3-yl)methanone
PubChem CID65018538
Molecular FormulaC13H16Br2OS
Molecular Weight380.15 g/mol
Exact Mass377.93
IUPAC Namecyclooctyl-(2,5-dibromothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)sc1Br)C1CCCCCCC1
InChIInChI=1S/C13H16Br2OS/c14-11-8-10(13(15)17-11)12(16)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2
InChIKeyLYHWVFCOPFQDLE-UHFFFAOYSA-N
XLogP5.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.15
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
(2,5-dibromothiophen-3-yl)-(1,1-dioxothian-2-yl)methanone
CID 104518083
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907
(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313
2-(cycloheptylmethoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 114248654
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
(2-bromothiophen-3-yl)-cyclopentylmethanone
CID 164654275
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809
(2,5-dibromothiophen-3-yl)-(5-methyloxolan-2-yl)methanone
CID 81329910
3-[(2,5-dibromothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 103932797
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79758228
1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
CID 43227146

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2,5-dibromothiophen-3-yl)methanone?
The IUPAC name of cyclooctyl-(2,5-dibromothiophen-3-yl)methanone (CID 65018538) is cyclooctyl-(2,5-dibromothiophen-3-yl)methanone.
What is the SMILES notation for cyclooctyl-(2,5-dibromothiophen-3-yl)methanone?
The canonical SMILES for cyclooctyl-(2,5-dibromothiophen-3-yl)methanone is O=C(c1cc(Br)sc1Br)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2,5-dibromothiophen-3-yl)methanone?
The InChIKey is LYHWVFCOPFQDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2OS/c14-11-8-10(13(15)17-11)12(16)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2.
What are the key properties of cyclooctyl-(2,5-dibromothiophen-3-yl)methanone?
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone has a molecular weight of 380.15 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2,5-dibromothiophen-3-yl)methanone is sourced from PubChem (CID 65018538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).