(5-bromothiophen-3-yl)-cyclohexylmethanone

C11H13BrOS — CID 105076809

IUPAC(5-bromothiophen-3-yl)-cyclohexylmethanone
SMILESO=C(c1csc(Br)c1)C1CCCCC1
InChIInChI=1S/C11H13BrOS/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyCJYQOUHDNUZZMM-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.27
Rot. Bonds2

About (5-bromothiophen-3-yl)-cyclohexylmethanone

(5-bromothiophen-3-yl)-cyclohexylmethanone (PubChem CID 105076809) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-cyclohexylmethanone
PubChem CID105076809
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name(5-bromothiophen-3-yl)-cyclohexylmethanone
SMILESO=C(c1csc(Br)c1)C1CCCCC1
InChIInChI=1S/C11H13BrOS/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyCJYQOUHDNUZZMM-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
(5-bromothiophen-3-yl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 107966335
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
cyclooctyl-(3,4-dibromothiophen-2-yl)methanone
CID 79602537
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
methyl 1-(5-bromothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78919235
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 66849695
cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-cyclohexylmethanone?
The IUPAC name of (5-bromothiophen-3-yl)-cyclohexylmethanone (CID 105076809) is (5-bromothiophen-3-yl)-cyclohexylmethanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-cyclohexylmethanone?
The canonical SMILES for (5-bromothiophen-3-yl)-cyclohexylmethanone is O=C(c1csc(Br)c1)C1CCCCC1.
What is the InChIKey of (5-bromothiophen-3-yl)-cyclohexylmethanone?
The InChIKey is CJYQOUHDNUZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of (5-bromothiophen-3-yl)-cyclohexylmethanone?
(5-bromothiophen-3-yl)-cyclohexylmethanone has a molecular weight of 273.19 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-cyclohexylmethanone is sourced from PubChem (CID 105076809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).