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

C9H5BrCl2OS — CID 102836630

IUPAC2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
SMILESClc1sc(C(Cl)c2ccco2)cc1Br
InChIInChI=1S/C9H5BrCl2OS/c10-5-4-7(14-9(5)12)8(11)6-2-1-3-13-6/h1-4,8H
InChIKeyLPSKOPLBQVVQJM-UHFFFAOYSA-N
MW312.02 g/mol
LogP5.09
Rot. Bonds2

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

2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan (PubChem CID 102836630) has the molecular formula C9H5BrCl2OS and a molecular weight of 312.02 g/mol. Its IUPAC name is 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan.

Molecular Properties

Compound Name2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
PubChem CID102836630
Molecular FormulaC9H5BrCl2OS
Molecular Weight312.02 g/mol
Exact Mass309.86
IUPAC Name2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
SMILESClc1sc(C(Cl)c2ccco2)cc1Br
InChIInChI=1S/C9H5BrCl2OS/c10-5-4-7(14-9(5)12)8(11)6-2-1-3-13-6/h1-4,8H
InChIKeyLPSKOPLBQVVQJM-UHFFFAOYSA-N
XLogP5.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.02
LogP ≤ 55.09
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-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836567
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
CID 106855734
3-bromo-2-chloro-5-[chloro-(3-methylsulfonylphenyl)methyl]thiophene
CID 102836321
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
CID 130605196

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan?
The IUPAC name of 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan (CID 102836630) is 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan.
What is the SMILES notation for 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan?
The canonical SMILES for 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan is Clc1sc(C(Cl)c2ccco2)cc1Br.
What is the InChIKey of 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan?
The InChIKey is LPSKOPLBQVVQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2OS/c10-5-4-7(14-9(5)12)8(11)6-2-1-3-13-6/h1-4,8H.
What are the key properties of 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan?
2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan has a molecular weight of 312.02 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan is sourced from PubChem (CID 102836630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).