2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan

C9H4Br3ClOS — CID 106855734

IUPAC2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
SMILESClc1sc(C(Br)c2ccoc2Br)cc1Br
InChIInChI=1S/C9H4Br3ClOS/c10-5-3-6(15-9(5)13)7(11)4-1-2-14-8(4)12/h1-3,7H
InChIKeyOCGWBGZITIJVLH-UHFFFAOYSA-N
MW435.36 g/mol
LogP6.00
Rot. Bonds2

About 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan

2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan (PubChem CID 106855734) has the molecular formula C9H4Br3ClOS and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan.

Molecular Properties

Compound Name2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
PubChem CID106855734
Molecular FormulaC9H4Br3ClOS
Molecular Weight435.36 g/mol
Exact Mass431.72
IUPAC Name2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
SMILESClc1sc(C(Br)c2ccoc2Br)cc1Br
InChIInChI=1S/C9H4Br3ClOS/c10-5-3-6(15-9(5)13)7(11)4-1-2-14-8(4)12/h1-3,7H
InChIKeyOCGWBGZITIJVLH-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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Related Compounds

3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
CID 102836630
3-bromo-5-[bromo-(4-methylsulfanylphenyl)methyl]-2-chlorothiophene
CID 102837148
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan?
The IUPAC name of 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan (CID 106855734) is 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan.
What is the SMILES notation for 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan?
The canonical SMILES for 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan is Clc1sc(C(Br)c2ccoc2Br)cc1Br.
What is the InChIKey of 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan?
The InChIKey is OCGWBGZITIJVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3ClOS/c10-5-3-6(15-9(5)13)7(11)4-1-2-14-8(4)12/h1-3,7H.
What are the key properties of 2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan?
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan 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-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan is sourced from PubChem (CID 106855734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).