3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene

C11H15BrS — CID 164652404

IUPAC3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
SMILESCC1CC(CBr)(Cc2ccsc2)C1
InChIInChI=1S/C11H15BrS/c1-9-4-11(5-9,8-12)6-10-2-3-13-7-10/h2-3,7,9H,4-6,8H2,1H3
InChIKeyMUQDDUKZKZQPTL-UHFFFAOYSA-N
MW259.21 g/mol
LogP4.10
Rot. Bonds3

About 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene

3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene (PubChem CID 164652404) has the molecular formula C11H15BrS and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene.

Molecular Properties

Compound Name3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
PubChem CID164652404
Molecular FormulaC11H15BrS
Molecular Weight259.21 g/mol
Exact Mass258.01
IUPAC Name3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
SMILESCC1CC(CBr)(Cc2ccsc2)C1
InChIInChI=1S/C11H15BrS/c1-9-4-11(5-9,8-12)6-10-2-3-13-7-10/h2-3,7,9H,4-6,8H2,1H3
InChIKeyMUQDDUKZKZQPTL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 54.10
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

4-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]phenol
CID 164652520
3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
CID 65401660
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022
4-methyl-3-(thiophen-3-ylmethyl)thiolan-3-ol
CID 130520190
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 114315050
2,2,3-trimethyl-3-(thiophen-3-ylmethyl)cyclopropan-1-amine
CID 164646247
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
CID 114535442
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
N,5-dimethyl-5-(thiophen-3-ylmethyl)oxolan-3-amine
CID 164646031
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene?
The IUPAC name of 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene (CID 164652404) is 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene.
What is the SMILES notation for 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene?
The canonical SMILES for 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene is CC1CC(CBr)(Cc2ccsc2)C1.
What is the InChIKey of 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene?
The InChIKey is MUQDDUKZKZQPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrS/c1-9-4-11(5-9,8-12)6-10-2-3-13-7-10/h2-3,7,9H,4-6,8H2,1H3.
What are the key properties of 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene?
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene has a molecular weight of 259.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene is sourced from PubChem (CID 164652404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).