2-[bromo(thiophen-2-yl)methyl]furan

C9H7BrOS — CID 61098713

IUPAC2-[bromo(thiophen-2-yl)methyl]furan
SMILESBrC(c1ccco1)c1cccs1
InChIInChI=1S/C9H7BrOS/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H
InChIKeyJLODTBHSDXIHIB-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.83
Rot. Bonds2

About 2-[bromo(thiophen-2-yl)methyl]furan

2-[bromo(thiophen-2-yl)methyl]furan (PubChem CID 61098713) has the molecular formula C9H7BrOS and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-[bromo(thiophen-2-yl)methyl]furan.

Molecular Properties

Compound Name2-[bromo(thiophen-2-yl)methyl]furan
PubChem CID61098713
Molecular FormulaC9H7BrOS
Molecular Weight243.13 g/mol
Exact Mass241.94
IUPAC Name2-[bromo(thiophen-2-yl)methyl]furan
SMILESBrC(c1ccco1)c1cccs1
InChIInChI=1S/C9H7BrOS/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H
InChIKeyJLODTBHSDXIHIB-UHFFFAOYSA-N
XLogP3.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.83
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

(1S)-N-(dithiophen-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403560
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran
CID 79084640
2-[bromo-(4-propan-2-ylphenyl)methyl]furan
CID 63443544
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
2-[bromo-(2,4,6-trifluorophenyl)methyl]furan
CID 61097897
2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
CID 103304265
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene
CID 170971854
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
CID 65283596

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(thiophen-2-yl)methyl]furan?
The IUPAC name of 2-[bromo(thiophen-2-yl)methyl]furan (CID 61098713) is 2-[bromo(thiophen-2-yl)methyl]furan.
What is the SMILES notation for 2-[bromo(thiophen-2-yl)methyl]furan?
The canonical SMILES for 2-[bromo(thiophen-2-yl)methyl]furan is BrC(c1ccco1)c1cccs1.
What is the InChIKey of 2-[bromo(thiophen-2-yl)methyl]furan?
The InChIKey is JLODTBHSDXIHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9H.
What are the key properties of 2-[bromo(thiophen-2-yl)methyl]furan?
2-[bromo(thiophen-2-yl)methyl]furan has a molecular weight of 243.13 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(thiophen-2-yl)methyl]furan is sourced from PubChem (CID 61098713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).