2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran

C9H4Br3ClOS — CID 106689189

IUPAC2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
SMILESClc1ccc(C(Br)c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C9H4Br3ClOS/c10-4-3-6(15-9(4)12)8(11)5-1-2-7(13)14-5/h1-3,8H
InChIKeyCFZQXFLEZZPCDS-UHFFFAOYSA-N
MW435.36 g/mol
LogP6.00
Rot. Bonds2

About 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran

2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran (PubChem CID 106689189) has the molecular formula C9H4Br3ClOS and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
PubChem CID106689189
Molecular FormulaC9H4Br3ClOS
Molecular Weight435.36 g/mol
Exact Mass431.72
IUPAC Name2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
SMILESClc1ccc(C(Br)c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C9H4Br3ClOS/c10-4-3-6(15-9(4)12)8(11)5-1-2-7(13)14-5/h1-3,8H
InChIKeyCFZQXFLEZZPCDS-UHFFFAOYSA-N
XLogP6.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 56.00
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-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran?
The IUPAC name of 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran (CID 106689189) is 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran.
What is the SMILES notation for 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran?
The canonical SMILES for 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran is Clc1ccc(C(Br)c2cc(Br)c(Br)s2)o1.
What is the InChIKey of 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran?
The InChIKey is CFZQXFLEZZPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3ClOS/c10-4-3-6(15-9(4)12)8(11)5-1-2-7(13)14-5/h1-3,8H.
What are the key properties of 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran?
2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran has a molecular weight of 435.36 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran is sourced from PubChem (CID 106689189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).