2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene

C13H12BrFOS — CID 63018350

IUPAC2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
SMILESCOc1ccc(C(Br)Cc2cccs2)cc1F
InChIInChI=1S/C13H12BrFOS/c1-16-13-5-4-9(7-12(13)15)11(14)8-10-3-2-6-17-10/h2-7,11H,8H2,1H3
InChIKeyGUFGENVNJDFVCT-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.57
Rot. Bonds4

About 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene

2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene (PubChem CID 63018350) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
PubChem CID63018350
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
SMILESCOc1ccc(C(Br)Cc2cccs2)cc1F
InChIInChI=1S/C13H12BrFOS/c1-16-13-5-4-9(7-12(13)15)11(14)8-10-3-2-6-17-10/h2-7,11H,8H2,1H3
InChIKeyGUFGENVNJDFVCT-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]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

2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]thiophene
CID 63543624
2-[2-bromo-2-(3,4-diethoxyphenyl)ethyl]thiophene
CID 63543455
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
CID 63442669
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471465
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene?
The IUPAC name of 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene (CID 63018350) is 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene is COc1ccc(C(Br)Cc2cccs2)cc1F.
What is the InChIKey of 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene?
The InChIKey is GUFGENVNJDFVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-16-13-5-4-9(7-12(13)15)11(14)8-10-3-2-6-17-10/h2-7,11H,8H2,1H3.
What are the key properties of 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene?
2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene has a molecular weight of 315.21 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene is sourced from PubChem (CID 63018350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).