2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene

C14H12BrFS — CID 79324344

IUPAC2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene
SMILESCC(=Cc1ccc(-c2ccccc2F)s1)CBr
InChIInChI=1S/C14H12BrFS/c1-10(9-15)8-11-6-7-14(17-11)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3
InChIKeySUXPBJOKPBHWIS-UHFFFAOYSA-N
MW311.22 g/mol
LogP5.35
Rot. Bonds3

About 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene

2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene (PubChem CID 79324344) has the molecular formula C14H12BrFS and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene.

Molecular Properties

Compound Name2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene
PubChem CID79324344
Molecular FormulaC14H12BrFS
Molecular Weight311.22 g/mol
Exact Mass309.98
IUPAC Name2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene
SMILESCC(=Cc1ccc(-c2ccccc2F)s1)CBr
InChIInChI=1S/C14H12BrFS/c1-10(9-15)8-11-6-7-14(17-11)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3
InChIKeySUXPBJOKPBHWIS-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.22
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene?
The IUPAC name of 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene (CID 79324344) is 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene.
What is the SMILES notation for 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene?
The canonical SMILES for 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene is CC(=Cc1ccc(-c2ccccc2F)s1)CBr.
What is the InChIKey of 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene?
The InChIKey is SUXPBJOKPBHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFS/c1-10(9-15)8-11-6-7-14(17-11)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene?
2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene has a molecular weight of 311.22 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylprop-1-enyl)-5-(2-fluorophenyl)thiophene is sourced from PubChem (CID 79324344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).