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

C9H4Br2Cl2OS — CID 106689187

IUPAC2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
SMILESClc1ccc(C(Br)c2cc(Cl)c(Br)s2)o1
InChIInChI=1S/C9H4Br2Cl2OS/c10-8(5-1-2-7(13)14-5)6-3-4(12)9(11)15-6/h1-3,8H
InChIKeyUQXHTGFYBZBQCV-UHFFFAOYSA-N
MW390.91 g/mol
LogP5.89
Rot. Bonds2

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

2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran (PubChem CID 106689187) has the molecular formula C9H4Br2Cl2OS and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
PubChem CID106689187
Molecular FormulaC9H4Br2Cl2OS
Molecular Weight390.91 g/mol
Exact Mass387.77
IUPAC Name2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
SMILESClc1ccc(C(Br)c2cc(Cl)c(Br)s2)o1
InChIInChI=1S/C9H4Br2Cl2OS/c10-8(5-1-2-7(13)14-5)6-3-4(12)9(11)15-6/h1-3,8H
InChIKeyUQXHTGFYBZBQCV-UHFFFAOYSA-N
XLogP5.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 55.89
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-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
CID 106689189
(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684530
2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene
CID 103211270
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819
2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
CID 106689046
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
2-bromo-5-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-chlorothiophene
CID 103310769
2-bromo-5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-3-chlorothiophene
CID 80532648
(5-bromothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684358

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran?
The IUPAC name of 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran (CID 106689187) is 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran.
What is the SMILES notation for 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran?
The canonical SMILES for 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran is Clc1ccc(C(Br)c2cc(Cl)c(Br)s2)o1.
What is the InChIKey of 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran?
The InChIKey is UQXHTGFYBZBQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2Cl2OS/c10-8(5-1-2-7(13)14-5)6-3-4(12)9(11)15-6/h1-3,8H.
What are the key properties of 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran?
2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran has a molecular weight of 390.91 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran is sourced from PubChem (CID 106689187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).