2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene

C12H9Br2ClS — CID 114375554

IUPAC2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
SMILESClC(Cc1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br2ClS/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7H2
InChIKeyBZRUNVMRDHERJM-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.80
Rot. Bonds3

About 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene

2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene (PubChem CID 114375554) has the molecular formula C12H9Br2ClS and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
PubChem CID114375554
Molecular FormulaC12H9Br2ClS
Molecular Weight380.53 g/mol
Exact Mass377.85
IUPAC Name2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
SMILESClC(Cc1cccs1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H9Br2ClS/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7H2
InChIKeyBZRUNVMRDHERJM-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.80
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-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793
2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
CID 63519031
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 63796464
2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79206449
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene?
The IUPAC name of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene (CID 114375554) is 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene is ClC(Cc1cccs1)c1cc(Br)ccc1Br.
What is the InChIKey of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene?
The InChIKey is BZRUNVMRDHERJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClS/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7H2.
What are the key properties of 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene?
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene has a molecular weight of 380.53 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene is sourced from PubChem (CID 114375554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).