2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene

C16H11BrClFS — CID 81104818

IUPAC2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
SMILESFc1ccc2cc(C(Br)Cc3ccccc3Cl)sc2c1
InChIInChI=1S/C16H11BrClFS/c17-13(7-10-3-1-2-4-14(10)18)16-8-11-5-6-12(19)9-15(11)20-16/h1-6,8-9,13H,7H2
InChIKeyUURYNKUJIVWPHZ-UHFFFAOYSA-N
MW369.69 g/mol
LogP6.37
Rot. Bonds3

About 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene

2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene (PubChem CID 81104818) has the molecular formula C16H11BrClFS and a molecular weight of 369.69 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
PubChem CID81104818
Molecular FormulaC16H11BrClFS
Molecular Weight369.69 g/mol
Exact Mass367.94
IUPAC Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene
SMILESFc1ccc2cc(C(Br)Cc3ccccc3Cl)sc2c1
InChIInChI=1S/C16H11BrClFS/c17-13(7-10-3-1-2-4-14(10)18)16-8-11-5-6-12(19)9-15(11)20-16/h1-6,8-9,13H,7H2
InChIKeyUURYNKUJIVWPHZ-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 56.37
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-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
4-[2-(1-benzothiophen-2-yl)-2-bromoethyl]-3-chloropyridine
CID 112656160
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 115801543
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295198
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
1-(2-chloro-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 105397335

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene?
The IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene (CID 81104818) is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene.
What is the SMILES notation for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene?
The canonical SMILES for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene is Fc1ccc2cc(C(Br)Cc3ccccc3Cl)sc2c1.
What is the InChIKey of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene?
The InChIKey is UURYNKUJIVWPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFS/c17-13(7-10-3-1-2-4-14(10)18)16-8-11-5-6-12(19)9-15(11)20-16/h1-6,8-9,13H,7H2.
What are the key properties of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene?
2-[1-bromo-2-(2-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene has a molecular weight of 369.69 g/mol, XLogP of 6.37, 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-chlorophenyl)ethyl]-6-fluoro-1-benzothiophene is sourced from PubChem (CID 81104818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).