2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene

C8H8BrClS — CID 155820213

IUPAC2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
SMILESClC[C@@H]1C[C@H]1c1ccc(Br)s1
InChIInChI=1S/C8H8BrClS/c9-8-2-1-7(11-8)6-3-5(6)4-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1
InChIKeyMBESEBHPLONJPA-NTSWFWBYSA-N
MW251.58 g/mol
LogP3.85
Rot. Bonds2

About 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene

2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene (PubChem CID 155820213) has the molecular formula C8H8BrClS and a molecular weight of 251.58 g/mol. Its IUPAC name is 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
PubChem CID155820213
Molecular FormulaC8H8BrClS
Molecular Weight251.58 g/mol
Exact Mass249.92
IUPAC Name2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
SMILESClC[C@@H]1C[C@H]1c1ccc(Br)s1
InChIInChI=1S/C8H8BrClS/c9-8-2-1-7(11-8)6-3-5(6)4-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1
InChIKeyMBESEBHPLONJPA-NTSWFWBYSA-N
XLogP3.85
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 ≤ 53.85
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-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
The IUPAC name of 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene (CID 155820213) is 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
The canonical SMILES for 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene is ClC[C@@H]1C[C@H]1c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
The InChIKey is MBESEBHPLONJPA-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H8BrClS/c9-8-2-1-7(11-8)6-3-5(6)4-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1.
What are the key properties of 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene?
2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene has a molecular weight of 251.58 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene is sourced from PubChem (CID 155820213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).