2-bromo-5-(1-bromoheptyl)thiophene

C11H16Br2S — CID 114753618

IUPAC2-bromo-5-(1-bromoheptyl)thiophene
SMILESCCCCCCC(Br)c1ccc(Br)s1
InChIInChI=1S/C11H16Br2S/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h7-9H,2-6H2,1H3
InChIKeyROCZCXZNATZEOV-UHFFFAOYSA-N
MW340.12 g/mol
LogP5.92
Rot. Bonds6

About 2-bromo-5-(1-bromoheptyl)thiophene

2-bromo-5-(1-bromoheptyl)thiophene (PubChem CID 114753618) has the molecular formula C11H16Br2S and a molecular weight of 340.12 g/mol. Its IUPAC name is 2-bromo-5-(1-bromoheptyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromoheptyl)thiophene
PubChem CID114753618
Molecular FormulaC11H16Br2S
Molecular Weight340.12 g/mol
Exact Mass337.93
IUPAC Name2-bromo-5-(1-bromoheptyl)thiophene
SMILESCCCCCCC(Br)c1ccc(Br)s1
InChIInChI=1S/C11H16Br2S/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h7-9H,2-6H2,1H3
InChIKeyROCZCXZNATZEOV-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.12
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
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2-bromo-5-(1-bromo-3-methylbutyl)thiophene
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2-bromo-5-(1-chlorobutyl)thiophene
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2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromoheptyl)thiophene?
The IUPAC name of 2-bromo-5-(1-bromoheptyl)thiophene (CID 114753618) is 2-bromo-5-(1-bromoheptyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-bromoheptyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-bromoheptyl)thiophene is CCCCCCC(Br)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1-bromoheptyl)thiophene?
The InChIKey is ROCZCXZNATZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2S/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h7-9H,2-6H2,1H3.
What are the key properties of 2-bromo-5-(1-bromoheptyl)thiophene?
2-bromo-5-(1-bromoheptyl)thiophene has a molecular weight of 340.12 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromoheptyl)thiophene is sourced from PubChem (CID 114753618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).