4-(bromomethyl)-2-(trifluoromethyl)thiophene

C6H4BrF3S — CID 90300123

IUPAC4-(bromomethyl)-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cc(CBr)cs1
InChIInChI=1S/C6H4BrF3S/c7-2-4-1-5(11-3-4)6(8,9)10/h1,3H,2H2
InChIKeyVCIRMGXIJZJJIE-UHFFFAOYSA-N
MW245.06 g/mol
LogP3.66
Rot. Bonds1

About 4-(bromomethyl)-2-(trifluoromethyl)thiophene

4-(bromomethyl)-2-(trifluoromethyl)thiophene (PubChem CID 90300123) has the molecular formula C6H4BrF3S and a molecular weight of 245.06 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name4-(bromomethyl)-2-(trifluoromethyl)thiophene
PubChem CID90300123
Molecular FormulaC6H4BrF3S
Molecular Weight245.06 g/mol
Exact Mass243.92
IUPAC Name4-(bromomethyl)-2-(trifluoromethyl)thiophene
SMILESFC(F)(F)c1cc(CBr)cs1
InChIInChI=1S/C6H4BrF3S/c7-2-4-1-5(11-3-4)6(8,9)10/h1,3H,2H2
InChIKeyVCIRMGXIJZJJIE-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-2-(trifluoromethyl)thiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(trifluoromethyl)thiophene?
The IUPAC name of 4-(bromomethyl)-2-(trifluoromethyl)thiophene (CID 90300123) is 4-(bromomethyl)-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 4-(bromomethyl)-2-(trifluoromethyl)thiophene?
The canonical SMILES for 4-(bromomethyl)-2-(trifluoromethyl)thiophene is FC(F)(F)c1cc(CBr)cs1.
What is the InChIKey of 4-(bromomethyl)-2-(trifluoromethyl)thiophene?
The InChIKey is VCIRMGXIJZJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3S/c7-2-4-1-5(11-3-4)6(8,9)10/h1,3H,2H2.
What are the key properties of 4-(bromomethyl)-2-(trifluoromethyl)thiophene?
4-(bromomethyl)-2-(trifluoromethyl)thiophene has a molecular weight of 245.06 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 90300123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).