5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene

C11H14BrClS — CID 103165928

IUPAC5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
SMILESCc1sc(Br)cc1C(Cl)CC1CCC1
InChIInChI=1S/C11H14BrClS/c1-7-9(6-11(12)14-7)10(13)5-8-3-2-4-8/h6,8,10H,2-5H2,1H3
InChIKeyNFUYMQFKQDZQKM-UHFFFAOYSA-N
MW293.66 g/mol
LogP5.29
Rot. Bonds3

About 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene

5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene (PubChem CID 103165928) has the molecular formula C11H14BrClS and a molecular weight of 293.66 g/mol. Its IUPAC name is 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene.

Molecular Properties

Compound Name5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
PubChem CID103165928
Molecular FormulaC11H14BrClS
Molecular Weight293.66 g/mol
Exact Mass291.97
IUPAC Name5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene
SMILESCc1sc(Br)cc1C(Cl)CC1CCC1
InChIInChI=1S/C11H14BrClS/c1-7-9(6-11(12)14-7)10(13)5-8-3-2-4-8/h6,8,10H,2-5H2,1H3
InChIKeyNFUYMQFKQDZQKM-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.66
LogP ≤ 55.29
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-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
3-(1-chloro-3-cyclopentylpropyl)-2,5-dimethylthiophene
CID 63432096
2-chloro-5-(1-chloro-2-cyclobutylethyl)-3-methylthiophene
CID 103166064
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125
1-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933
5-bromo-6-(1-chloro-2-cyclobutylethyl)-1,3-dimethylbenzimidazol-2-one
CID 103165870
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
3-(1-bromo-2-cyclopropylethyl)-2,5-dimethylthiophene
CID 63440922
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570
3-bromo-2-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene?
The IUPAC name of 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene (CID 103165928) is 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene.
What is the SMILES notation for 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene?
The canonical SMILES for 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene is Cc1sc(Br)cc1C(Cl)CC1CCC1.
What is the InChIKey of 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene?
The InChIKey is NFUYMQFKQDZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClS/c1-7-9(6-11(12)14-7)10(13)5-8-3-2-4-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene?
5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene has a molecular weight of 293.66 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-chloro-2-cyclobutylethyl)-2-methylthiophene is sourced from PubChem (CID 103165928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).