2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran

C10H8BrClOS — CID 61083696

IUPAC2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C10H8BrClOS/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5,9H,1H3
InChIKeyUMUWEEODZFPLQW-UHFFFAOYSA-N
MW291.60 g/mol
LogP4.74
Rot. Bonds2

About 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran

2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran (PubChem CID 61083696) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran
PubChem CID61083696
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C10H8BrClOS/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5,9H,1H3
InChIKeyUMUWEEODZFPLQW-UHFFFAOYSA-N
XLogP4.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran?
The IUPAC name of 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran (CID 61083696) is 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran is Cc1ccoc1C(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran?
The InChIKey is UMUWEEODZFPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5,9H,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran?
2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran has a molecular weight of 291.60 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylfuran is sourced from PubChem (CID 61083696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).