2-bromo-5-[chloro(cyclopropyl)methyl]thiophene

C8H8BrClS — CID 61085489

IUPAC2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
SMILESClC(c1ccc(Br)s1)C1CC1
InChIInChI=1S/C8H8BrClS/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5,8H,1-2H2
InChIKeyTVFHDQVUIRVSQP-UHFFFAOYSA-N
MW251.58 g/mol
LogP4.20
Rot. Bonds2

About 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene

2-bromo-5-[chloro(cyclopropyl)methyl]thiophene (PubChem CID 61085489) has the molecular formula C8H8BrClS and a molecular weight of 251.58 g/mol. Its IUPAC name is 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
PubChem CID61085489
Molecular FormulaC8H8BrClS
Molecular Weight251.58 g/mol
Exact Mass249.92
IUPAC Name2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
SMILESClC(c1ccc(Br)s1)C1CC1
InChIInChI=1S/C8H8BrClS/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5,8H,1-2H2
InChIKeyTVFHDQVUIRVSQP-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene (CID 61085489) is 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene is ClC(c1ccc(Br)s1)C1CC1.
What is the InChIKey of 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene?
The InChIKey is TVFHDQVUIRVSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClS/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5,8H,1-2H2.
What are the key properties of 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene?
2-bromo-5-[chloro(cyclopropyl)methyl]thiophene has a molecular weight of 251.58 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro(cyclopropyl)methyl]thiophene is sourced from PubChem (CID 61085489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).