2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene

C9H9Br2ClS — CID 80533267

IUPAC2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
SMILESClc1cc(C(Br)CC2CC2)sc1Br
InChIInChI=1S/C9H9Br2ClS/c10-6(3-5-1-2-5)8-4-7(12)9(11)13-8/h4-6H,1-3H2
InChIKeyVFLYERSKMGTDQE-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.40
Rot. Bonds3

About 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene

2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene (PubChem CID 80533267) has the molecular formula C9H9Br2ClS and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
PubChem CID80533267
Molecular FormulaC9H9Br2ClS
Molecular Weight344.50 g/mol
Exact Mass341.85
IUPAC Name2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
SMILESClc1cc(C(Br)CC2CC2)sc1Br
InChIInChI=1S/C9H9Br2ClS/c10-6(3-5-1-2-5)8-4-7(12)9(11)13-8/h4-6H,1-3H2
InChIKeyVFLYERSKMGTDQE-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743
3-[(5-bromo-4-chlorothiophen-2-yl)-chloromethyl]oxolane
CID 80533380
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80533486
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 80530913

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene?
The IUPAC name of 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene (CID 80533267) is 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene is Clc1cc(C(Br)CC2CC2)sc1Br.
What is the InChIKey of 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene?
The InChIKey is VFLYERSKMGTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2ClS/c10-6(3-5-1-2-5)8-4-7(12)9(11)13-8/h4-6H,1-3H2.
What are the key properties of 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene?
2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene has a molecular weight of 344.50 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene is sourced from PubChem (CID 80533267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).