7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran

C10H8BrFO — CID 22144794

IUPAC7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran
SMILESCc1coc2c(Br)cc(F)c(C)c12
InChIInChI=1S/C10H8BrFO/c1-5-4-13-10-7(11)3-8(12)6(2)9(5)10/h3-4H,1-2H3
InChIKeyRNXSJPNGSMCAOT-UHFFFAOYSA-N
MW243.07 g/mol
LogP3.95
Rot. Bonds

About 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran

7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran (PubChem CID 22144794) has the molecular formula C10H8BrFO and a molecular weight of 243.07 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran
PubChem CID22144794
Molecular FormulaC10H8BrFO
Molecular Weight243.07 g/mol
Exact Mass241.97
IUPAC Name7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran
SMILESCc1coc2c(Br)cc(F)c(C)c12
InChIInChI=1S/C10H8BrFO/c1-5-4-13-10-7(11)3-8(12)6(2)9(5)10/h3-4H,1-2H3
InChIKeyRNXSJPNGSMCAOT-UHFFFAOYSA-N
XLogP3.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran 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 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran?
The IUPAC name of 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran (CID 22144794) is 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran.
What is the SMILES notation for 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran?
The canonical SMILES for 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran is Cc1coc2c(Br)cc(F)c(C)c12.
What is the InChIKey of 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran?
The InChIKey is RNXSJPNGSMCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO/c1-5-4-13-10-7(11)3-8(12)6(2)9(5)10/h3-4H,1-2H3.
What are the key properties of 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran?
7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran has a molecular weight of 243.07 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3,4-dimethyl-1-benzofuran is sourced from PubChem (CID 22144794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).