2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene

C16H12BrClS — CID 113292793

IUPAC2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
SMILESClC(Cc1cccs1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrClS/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(18)10-15-2-1-7-19-15/h1-9,16H,10H2
InChIKeyWEYRLZCEGBKZTG-UHFFFAOYSA-N
MW351.70 g/mol
LogP6.19
Rot. Bonds3

About 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene

2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene (PubChem CID 113292793) has the molecular formula C16H12BrClS and a molecular weight of 351.70 g/mol. Its IUPAC name is 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene.

Molecular Properties

Compound Name2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
PubChem CID113292793
Molecular FormulaC16H12BrClS
Molecular Weight351.70 g/mol
Exact Mass349.95
IUPAC Name2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
SMILESClC(Cc1cccs1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrClS/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(18)10-15-2-1-7-19-15/h1-9,16H,10H2
InChIKeyWEYRLZCEGBKZTG-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.70
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 115354104
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
[1-(6-bromonaphthalen-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308962
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
CID 115354314
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
CID 55149357
2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
CID 79016135
2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene
CID 57095909
6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 65346021

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene?
The IUPAC name of 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene (CID 113292793) is 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene.
What is the SMILES notation for 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene?
The canonical SMILES for 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene is ClC(Cc1cccs1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene?
The InChIKey is WEYRLZCEGBKZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClS/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(18)10-15-2-1-7-19-15/h1-9,16H,10H2.
What are the key properties of 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene?
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene has a molecular weight of 351.70 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene is sourced from PubChem (CID 113292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).