2-bromo-3-cyclohexyl-5-iodothiophene

C10H12BrIS — CID 101254960

IUPAC2-bromo-3-cyclohexyl-5-iodothiophene
SMILESBrc1sc(I)cc1C1CCCCC1
InChIInChI=1S/C10H12BrIS/c11-10-8(6-9(12)13-10)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyLVKXMPZSWMXDQA-UHFFFAOYSA-N
MW371.08 g/mol
LogP5.16
Rot. Bonds1

About 2-bromo-3-cyclohexyl-5-iodothiophene

2-bromo-3-cyclohexyl-5-iodothiophene (PubChem CID 101254960) has the molecular formula C10H12BrIS and a molecular weight of 371.08 g/mol. Its IUPAC name is 2-bromo-3-cyclohexyl-5-iodothiophene.

Molecular Properties

Compound Name2-bromo-3-cyclohexyl-5-iodothiophene
PubChem CID101254960
Molecular FormulaC10H12BrIS
Molecular Weight371.08 g/mol
Exact Mass369.89
IUPAC Name2-bromo-3-cyclohexyl-5-iodothiophene
SMILESBrc1sc(I)cc1C1CCCCC1
InChIInChI=1S/C10H12BrIS/c11-10-8(6-9(12)13-10)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyLVKXMPZSWMXDQA-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.08
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
2-(2,5-dibromothiophen-3-yl)azepane
CID 107959791
4-bromo-2-cyclohexylphenol
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1-bromo-2-cyclohexyl-4-methylbenzene
CID 117104268
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
4-bromo-2-cyclohexylaniline
CID 117104255
3,4-dicyclopentylthiophene
CID 21200052
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
N-[(1S)-1-cyclopentylethyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclohexyl-5-iodothiophene?
The IUPAC name of 2-bromo-3-cyclohexyl-5-iodothiophene (CID 101254960) is 2-bromo-3-cyclohexyl-5-iodothiophene.
What is the SMILES notation for 2-bromo-3-cyclohexyl-5-iodothiophene?
The canonical SMILES for 2-bromo-3-cyclohexyl-5-iodothiophene is Brc1sc(I)cc1C1CCCCC1.
What is the InChIKey of 2-bromo-3-cyclohexyl-5-iodothiophene?
The InChIKey is LVKXMPZSWMXDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIS/c11-10-8(6-9(12)13-10)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 2-bromo-3-cyclohexyl-5-iodothiophene?
2-bromo-3-cyclohexyl-5-iodothiophene has a molecular weight of 371.08 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclohexyl-5-iodothiophene is sourced from PubChem (CID 101254960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).