2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane

C9H10BrClOS — CID 61096141

IUPAC2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
SMILESClc1ccc(C(Br)C2CCCO2)s1
InChIInChI=1S/C9H10BrClOS/c10-9(6-2-1-5-12-6)7-3-4-8(11)13-7/h3-4,6,9H,1-2,5H2
InChIKeyNGPDJPISCOZGNU-UHFFFAOYSA-N
MW281.60 g/mol
LogP4.02
Rot. Bonds2

About 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane

2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane (PubChem CID 61096141) has the molecular formula C9H10BrClOS and a molecular weight of 281.60 g/mol. Its IUPAC name is 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
PubChem CID61096141
Molecular FormulaC9H10BrClOS
Molecular Weight281.60 g/mol
Exact Mass279.93
IUPAC Name2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
SMILESClc1ccc(C(Br)C2CCCO2)s1
InChIInChI=1S/C9H10BrClOS/c10-9(6-2-1-5-12-6)7-3-4-8(11)13-7/h3-4,6,9H,1-2,5H2
InChIKeyNGPDJPISCOZGNU-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.60
LogP ≤ 54.02
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

2-[bromo-(5-chlorothiophen-2-yl)methyl]-1,4-dioxane
CID 62805836
[(5-chlorothiophen-2-yl)-(oxan-2-yl)methyl]hydrazine
CID 105328186
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410
2-[bromo-(3-chlorothiophen-2-yl)methyl]oxane
CID 80531717
2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
CID 107182254
2-[bromo-(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63441694
2-[3-chloro-3-(5-chlorothiophen-2-yl)propyl]oxane
CID 63950981
2-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]oxolane
CID 115484912
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
CID 61082899
(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol
CID 102835045

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane?
The IUPAC name of 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane (CID 61096141) is 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane.
What is the SMILES notation for 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane?
The canonical SMILES for 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane is Clc1ccc(C(Br)C2CCCO2)s1.
What is the InChIKey of 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane?
The InChIKey is NGPDJPISCOZGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClOS/c10-9(6-2-1-5-12-6)7-3-4-8(11)13-7/h3-4,6,9H,1-2,5H2.
What are the key properties of 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane?
2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane has a molecular weight of 281.60 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane is sourced from PubChem (CID 61096141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).