4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene

C10H12Br2S — CID 66049313

IUPAC4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
SMILESBrCC1(Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C10H12Br2S/c11-7-10(2-1-3-10)5-9-4-8(12)6-13-9/h4,6H,1-3,5,7H2
InChIKeyWKHNBJUZJQUNDK-UHFFFAOYSA-N
MW324.08 g/mol
LogP4.62
Rot. Bonds3

About 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene

4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene (PubChem CID 66049313) has the molecular formula C10H12Br2S and a molecular weight of 324.08 g/mol. Its IUPAC name is 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
PubChem CID66049313
Molecular FormulaC10H12Br2S
Molecular Weight324.08 g/mol
Exact Mass321.90
IUPAC Name4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
SMILESBrCC1(Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C10H12Br2S/c11-7-10(2-1-3-10)5-9-4-8(12)6-13-9/h4,6H,1-3,5,7H2
InChIKeyWKHNBJUZJQUNDK-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 54.62
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

[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79856783
1-[(4-bromothiophen-2-yl)methyl]cycloheptane-1-carbonitrile
CID 65389916
4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
CID 63220178
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247094
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
3-[(4-bromothiophen-2-yl)methyl]oxan-3-ol
CID 65149057
3-[(4-bromothiophen-2-yl)methyl]oxolane-3-carbaldehyde
CID 126997324
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
N-[[1-[(4-bromothiophen-2-yl)methyl]-4-butylcyclohexyl]methyl]ethanamine
CID 63523248
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154190

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene?
The IUPAC name of 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene (CID 66049313) is 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene?
The canonical SMILES for 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene is BrCC1(Cc2cc(Br)cs2)CCC1.
What is the InChIKey of 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene?
The InChIKey is WKHNBJUZJQUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2S/c11-7-10(2-1-3-10)5-9-4-8(12)6-13-9/h4,6H,1-3,5,7H2.
What are the key properties of 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene?
4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene has a molecular weight of 324.08 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene is sourced from PubChem (CID 66049313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).