2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran

C10H8BrClOS — CID 106689781

IUPAC2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran
SMILESClc1ccc(C(Br)Cc2cccs2)o1
InChIInChI=1S/C10H8BrClOS/c11-8(6-7-2-1-5-14-7)9-3-4-10(12)13-9/h1-5,8H,6H2
InChIKeyMRQZUOPSBNSDOF-UHFFFAOYSA-N
MW291.60 g/mol
LogP4.67
Rot. Bonds3

About 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran

2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran (PubChem CID 106689781) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran.

Molecular Properties

Compound Name2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran
PubChem CID106689781
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran
SMILESClc1ccc(C(Br)Cc2cccs2)o1
InChIInChI=1S/C10H8BrClOS/c11-8(6-7-2-1-5-14-7)9-3-4-10(12)13-9/h1-5,8H,6H2
InChIKeyMRQZUOPSBNSDOF-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 54.67
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-(1-bromo-2-thiophen-2-ylethyl)-5-nitrofuran
CID 63017624
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
2-[2-bromo-2-(3-chloro-2-methylphenyl)ethyl]thiophene
CID 107099936
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
CID 106689728
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-5-chlorofuran
CID 106689774
2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene
CID 63542068
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran?
The IUPAC name of 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran (CID 106689781) is 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran.
What is the SMILES notation for 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran?
The canonical SMILES for 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran is Clc1ccc(C(Br)Cc2cccs2)o1.
What is the InChIKey of 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran?
The InChIKey is MRQZUOPSBNSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c11-8(6-7-2-1-5-14-7)9-3-4-10(12)13-9/h1-5,8H,6H2.
What are the key properties of 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran?
2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran has a molecular weight of 291.60 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran is sourced from PubChem (CID 106689781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).