2-(1-adamantyl)-5-bromothiophene

C14H17BrS — CID 118366615

IUPAC2-(1-adamantyl)-5-bromothiophene
SMILESBrc1ccc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H17BrS/c15-13-2-1-12(16-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2
InChIKeyPXRYUMWUXKNPQK-UHFFFAOYSA-N
MW297.26 g/mol
LogP4.98
Rot. Bonds1

About 2-(1-adamantyl)-5-bromothiophene

2-(1-adamantyl)-5-bromothiophene (PubChem CID 118366615) has the molecular formula C14H17BrS and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-bromothiophene.

Molecular Properties

Compound Name2-(1-adamantyl)-5-bromothiophene
PubChem CID118366615
Molecular FormulaC14H17BrS
Molecular Weight297.26 g/mol
Exact Mass296.02
IUPAC Name2-(1-adamantyl)-5-bromothiophene
SMILESBrc1ccc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H17BrS/c15-13-2-1-12(16-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2
InChIKeyPXRYUMWUXKNPQK-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thienyladamantane
CID 11138600
2-(1-Adamantyl)-5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophene
CID 123890729
2-Bromo-5-tritylthiophene
CID 134938680
2-Bromo-5-cyclohexylthiophene
CID 19881766
2-Bromo-5-(1,1-dimethylpentyl)thiophene
CID 70815938
2-Bromo-5-(2-ethylhexyl)thiophene
CID 84819384
2-Bromo-5-(3,7-dimethyloctyl)thiophene
CID 101540897
2-(1-Adamantyl)-5-methylthiophene
CID 123921383
2-Bromo-5-(4-propylcyclohexyl)thiophene
CID 140076057
2-(1-Adamantylmethyl)thiophene
CID 140129677
2-Bromo-5-(2-methylpentan-2-yl)thiophene
CID 146378225
2-Bromo-5-decan-5-ylthiophene
CID 146426947

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-bromothiophene?
The IUPAC name of 2-(1-adamantyl)-5-bromothiophene (CID 118366615) is 2-(1-adamantyl)-5-bromothiophene.
What is the SMILES notation for 2-(1-adamantyl)-5-bromothiophene?
The canonical SMILES for 2-(1-adamantyl)-5-bromothiophene is Brc1ccc(C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 2-(1-adamantyl)-5-bromothiophene?
The InChIKey is PXRYUMWUXKNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrS/c15-13-2-1-12(16-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2.
What are the key properties of 2-(1-adamantyl)-5-bromothiophene?
2-(1-adamantyl)-5-bromothiophene has a molecular weight of 297.26 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-bromothiophene is sourced from PubChem (CID 118366615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).