3-[2-(bromomethyl)-2-ethylbutyl]thiophene

C11H17BrS — CID 66050912

IUPAC3-[2-(bromomethyl)-2-ethylbutyl]thiophene
SMILESCCC(CC)(CBr)Cc1ccsc1
InChIInChI=1S/C11H17BrS/c1-3-11(4-2,9-12)7-10-5-6-13-8-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyAZIVLLJIZSDRTM-UHFFFAOYSA-N
MW261.23 g/mol
LogP4.49
Rot. Bonds5

About 3-[2-(bromomethyl)-2-ethylbutyl]thiophene

3-[2-(bromomethyl)-2-ethylbutyl]thiophene (PubChem CID 66050912) has the molecular formula C11H17BrS and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-2-ethylbutyl]thiophene.

Molecular Properties

Compound Name3-[2-(bromomethyl)-2-ethylbutyl]thiophene
PubChem CID66050912
Molecular FormulaC11H17BrS
Molecular Weight261.23 g/mol
Exact Mass260.02
IUPAC Name3-[2-(bromomethyl)-2-ethylbutyl]thiophene
SMILESCCC(CC)(CBr)Cc1ccsc1
InChIInChI=1S/C11H17BrS/c1-3-11(4-2,9-12)7-10-5-6-13-8-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyAZIVLLJIZSDRTM-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2-bis(bromomethyl)-4-methylpentyl]thiophene
CID 79453120
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
CID 55106895
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
3-[3-(chloromethyl)-3-ethylpentyl]thiophene
CID 66034934
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622195
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
CID 114079207

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-2-ethylbutyl]thiophene?
The IUPAC name of 3-[2-(bromomethyl)-2-ethylbutyl]thiophene (CID 66050912) is 3-[2-(bromomethyl)-2-ethylbutyl]thiophene.
What is the SMILES notation for 3-[2-(bromomethyl)-2-ethylbutyl]thiophene?
The canonical SMILES for 3-[2-(bromomethyl)-2-ethylbutyl]thiophene is CCC(CC)(CBr)Cc1ccsc1.
What is the InChIKey of 3-[2-(bromomethyl)-2-ethylbutyl]thiophene?
The InChIKey is AZIVLLJIZSDRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrS/c1-3-11(4-2,9-12)7-10-5-6-13-8-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[2-(bromomethyl)-2-ethylbutyl]thiophene?
3-[2-(bromomethyl)-2-ethylbutyl]thiophene has a molecular weight of 261.23 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-2-ethylbutyl]thiophene is sourced from PubChem (CID 66050912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).