3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane

C10H11BrCl2OS — CID 79763708

IUPAC3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane
SMILESCC1OCCC1C(Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11BrCl2OS/c1-5-6(2-3-14-5)9(11)7-4-8(12)15-10(7)13/h4-6,9H,2-3H2,1H3
InChIKeyZWIUXNDEEKZTMX-UHFFFAOYSA-N
MW330.07 g/mol
LogP4.92
Rot. Bonds2

About 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane

3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane (PubChem CID 79763708) has the molecular formula C10H11BrCl2OS and a molecular weight of 330.07 g/mol. Its IUPAC name is 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane.

Molecular Properties

Compound Name3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane
PubChem CID79763708
Molecular FormulaC10H11BrCl2OS
Molecular Weight330.07 g/mol
Exact Mass327.91
IUPAC Name3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane
SMILESCC1OCCC1C(Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11BrCl2OS/c1-5-6(2-3-14-5)9(11)7-4-8(12)15-10(7)13/h4-6,9H,2-3H2,1H3
InChIKeyZWIUXNDEEKZTMX-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bromo-(2,5-dimethylthiophen-3-yl)methyl]-2-methyloxolane
CID 79762730
3-(1-bromo-2-cyclopropylpropyl)-2,5-dichlorothiophene
CID 83149199
3-[bromo-(4-tert-butylphenyl)methyl]-2-methyloxolane
CID 79763525
3-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dichlorothiophene
CID 107182289
3-[bromo-(3,4-dimethylphenyl)methyl]-2-methyloxolane
CID 79762725
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916
3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
CID 63444629
3-[bromo-(4-ethoxyphenyl)methyl]-2-methyloxolane
CID 79763438
(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
CID 43344806
1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764329

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane?
The IUPAC name of 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane (CID 79763708) is 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane.
What is the SMILES notation for 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane?
The canonical SMILES for 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane is CC1OCCC1C(Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane?
The InChIKey is ZWIUXNDEEKZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2OS/c1-5-6(2-3-14-5)9(11)7-4-8(12)15-10(7)13/h4-6,9H,2-3H2,1H3.
What are the key properties of 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane?
3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane has a molecular weight of 330.07 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(2,5-dichlorothiophen-3-yl)methyl]-2-methyloxolane is sourced from PubChem (CID 79763708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).