2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran

C11H11BrOS — CID 79084640

IUPAC2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Br)c2cccs2)o1
InChIInChI=1S/C11H11BrOS/c1-2-8-5-6-9(13-8)11(12)10-4-3-7-14-10/h3-7,11H,2H2,1H3
InChIKeyQPRIIWBEDJTECK-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.39
Rot. Bonds3

About 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran

2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran (PubChem CID 79084640) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran
PubChem CID79084640
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Br)c2cccs2)o1
InChIInChI=1S/C11H11BrOS/c1-2-8-5-6-9(13-8)11(12)10-4-3-7-14-10/h3-7,11H,2H2,1H3
InChIKeyQPRIIWBEDJTECK-UHFFFAOYSA-N
XLogP4.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 54.39
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

1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 62344802
2-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
CID 79975387
2-ethyl-5-(2-thiophen-2-ylethyl)furan
CID 126703067
2-[bromo(thiophen-2-yl)methyl]furan
CID 61098713
1-(5-ethylfuran-2-yl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62345660
2-[bromo-(4-methoxynaphthalen-1-yl)methyl]-5-ethylfuran
CID 79095333
2-[bromo-(4-chloro-2,5-dimethylphenyl)methyl]-5-ethylfuran
CID 79084467
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
CID 79095620
(5-ethylfuran-2-yl)phosphane
CID 118946047
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran?
The IUPAC name of 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran (CID 79084640) is 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran.
What is the SMILES notation for 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran?
The canonical SMILES for 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran is CCc1ccc(C(Br)c2cccs2)o1.
What is the InChIKey of 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran?
The InChIKey is QPRIIWBEDJTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-2-8-5-6-9(13-8)11(12)10-4-3-7-14-10/h3-7,11H,2H2,1H3.
What are the key properties of 2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran?
2-[bromo(thiophen-2-yl)methyl]-5-ethylfuran has a molecular weight of 271.18 g/mol, XLogP of 4.39, 3 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]-5-ethylfuran is sourced from PubChem (CID 79084640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).