2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan

C9H5Br2ClOS — CID 106855685

IUPAC2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan
SMILESClC(c1ccoc1Br)c1sccc1Br
InChIInChI=1S/C9H5Br2ClOS/c10-6-2-4-14-8(6)7(12)5-1-3-13-9(5)11/h1-4,7H
InChIKeyIVXIGPUGNHOJPL-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.19
Rot. Bonds2

About 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan

2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan (PubChem CID 106855685) has the molecular formula C9H5Br2ClOS and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan.

Molecular Properties

Compound Name2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan
PubChem CID106855685
Molecular FormulaC9H5Br2ClOS
Molecular Weight356.47 g/mol
Exact Mass353.81
IUPAC Name2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan
SMILESClC(c1ccoc1Br)c1sccc1Br
InChIInChI=1S/C9H5Br2ClOS/c10-6-2-4-14-8(6)7(12)5-1-3-13-9(5)11/h1-4,7H
InChIKeyIVXIGPUGNHOJPL-UHFFFAOYSA-N
XLogP5.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.19
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-(2,5-dibromophenyl)methyl]thiophene
CID 63796464
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
CID 63796992
3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
3-[1-benzothiophen-3-yl(chloro)methyl]-2-bromofuran
CID 106855502
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
2-bromo-3-[(4-tert-butylphenyl)-chloromethyl]furan
CID 106855489
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
3-bromo-2-[(2-bromo-6-fluorophenyl)-chloromethyl]thiophene
CID 114560720
2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
CID 106855701
3-[(4-benzylphenyl)-chloromethyl]-2-bromofuran
CID 106855653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan?
The IUPAC name of 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan (CID 106855685) is 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan.
What is the SMILES notation for 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan?
The canonical SMILES for 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan is ClC(c1ccoc1Br)c1sccc1Br.
What is the InChIKey of 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan?
The InChIKey is IVXIGPUGNHOJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2ClOS/c10-6-2-4-14-8(6)7(12)5-1-3-13-9(5)11/h1-4,7H.
What are the key properties of 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan?
2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan has a molecular weight of 356.47 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan is sourced from PubChem (CID 106855685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).