2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene

C14H12Br3ClS — CID 79456321

IUPAC2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
SMILESClc1cccc(C(CBr)(CBr)Cc2ccc(Br)s2)c1
InChIInChI=1S/C14H12Br3ClS/c15-8-14(9-16,7-12-4-5-13(17)19-12)10-2-1-3-11(18)6-10/h1-6H,7-9H2
InChIKeyZEWDRXCDQKWYNG-UHFFFAOYSA-N
MW487.48 g/mol
LogP6.43
Rot. Bonds5

About 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene

2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene (PubChem CID 79456321) has the molecular formula C14H12Br3ClS and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
PubChem CID79456321
Molecular FormulaC14H12Br3ClS
Molecular Weight487.48 g/mol
Exact Mass483.79
IUPAC Name2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
SMILESClc1cccc(C(CBr)(CBr)Cc2ccc(Br)s2)c1
InChIInChI=1S/C14H12Br3ClS/c15-8-14(9-16,7-12-4-5-13(17)19-12)10-2-1-3-11(18)6-10/h1-6H,7-9H2
InChIKeyZEWDRXCDQKWYNG-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 56.43
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

2-bromo-5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]thiophene
CID 79455843
2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447333
1-[1-bromo-2-(bromomethyl)-3-methoxypropan-2-yl]-3-chlorobenzene
CID 103985355
1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
CID 10960134
4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene
CID 79455363
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
CID 83169386
3-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]-1-methylpyrazole
CID 82881876
2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
CID 66048354
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
1-[3-bromo-2-(bromomethyl)-2-(3-fluorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862293
1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
CID 62622178

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene?
The IUPAC name of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene (CID 79456321) is 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene.
What is the SMILES notation for 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene?
The canonical SMILES for 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene is Clc1cccc(C(CBr)(CBr)Cc2ccc(Br)s2)c1.
What is the InChIKey of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene?
The InChIKey is ZEWDRXCDQKWYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3ClS/c15-8-14(9-16,7-12-4-5-13(17)19-12)10-2-1-3-11(18)6-10/h1-6H,7-9H2.
What are the key properties of 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene?
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene has a molecular weight of 487.48 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene is sourced from PubChem (CID 79456321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).