2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran

C12H8BrCl2FO — CID 106689728

IUPAC2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
SMILESFc1cccc(Cl)c1CC(Br)c1ccc(Cl)o1
InChIInChI=1S/C12H8BrCl2FO/c13-8(11-4-5-12(15)17-11)6-7-9(14)2-1-3-10(7)16/h1-5,8H,6H2
InChIKeyVTBGYHWQLXEFRE-UHFFFAOYSA-N
MW338.00 g/mol
LogP5.40
Rot. Bonds3

About 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran

2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran (PubChem CID 106689728) has the molecular formula C12H8BrCl2FO and a molecular weight of 338.00 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
PubChem CID106689728
Molecular FormulaC12H8BrCl2FO
Molecular Weight338.00 g/mol
Exact Mass335.91
IUPAC Name2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
SMILESFc1cccc(Cl)c1CC(Br)c1ccc(Cl)o1
InChIInChI=1S/C12H8BrCl2FO/c13-8(11-4-5-12(15)17-11)6-7-9(14)2-1-3-10(7)16/h1-5,8H,6H2
InChIKeyVTBGYHWQLXEFRE-UHFFFAOYSA-N
XLogP5.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.00
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran 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

2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833
2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
2-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63517979
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-[2-bromo-2-(2-ethoxyphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63518829
2-(2-bromo-4,5,5-trimethylhexyl)-1-chloro-3-fluorobenzene
CID 63834399
2-(1-bromo-2-thiophen-2-ylethyl)-5-chlorofuran
CID 106689781

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran?
The IUPAC name of 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran (CID 106689728) is 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran.
What is the SMILES notation for 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran?
The canonical SMILES for 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran is Fc1cccc(Cl)c1CC(Br)c1ccc(Cl)o1.
What is the InChIKey of 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran?
The InChIKey is VTBGYHWQLXEFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FO/c13-8(11-4-5-12(15)17-11)6-7-9(14)2-1-3-10(7)16/h1-5,8H,6H2.
What are the key properties of 2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran?
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran has a molecular weight of 338.00 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-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran is sourced from PubChem (CID 106689728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).