3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene

C11H7BrF2S — CID 71445661

IUPAC3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
SMILESCc1sc(-c2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C11H7BrF2S/c1-6-10(12)5-11(15-6)7-2-8(13)4-9(14)3-7/h2-5H,1H3
InChIKeyURZYQLGAOPQDEZ-UHFFFAOYSA-N
MW289.14 g/mol
LogP4.76
Rot. Bonds1

About 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene

3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene (PubChem CID 71445661) has the molecular formula C11H7BrF2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
PubChem CID71445661
Molecular FormulaC11H7BrF2S
Molecular Weight289.14 g/mol
Exact Mass287.94
IUPAC Name3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
SMILESCc1sc(-c2cc(F)cc(F)c2)cc1Br
InChIInChI=1S/C11H7BrF2S/c1-6-10(12)5-11(15-6)7-2-8(13)4-9(14)3-7/h2-5H,1H3
InChIKeyURZYQLGAOPQDEZ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene 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 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene?
The IUPAC name of 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene (CID 71445661) is 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene?
The canonical SMILES for 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene is Cc1sc(-c2cc(F)cc(F)c2)cc1Br.
What is the InChIKey of 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene?
The InChIKey is URZYQLGAOPQDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2S/c1-6-10(12)5-11(15-6)7-2-8(13)4-9(14)3-7/h2-5H,1H3.
What are the key properties of 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene?
3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene has a molecular weight of 289.14 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene is sourced from PubChem (CID 71445661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).