1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine

C11H11F2NOS — CID 54504092

IUPAC1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine
SMILESCC(N)c1cc2ccc(SC(F)F)cc2o1
InChIInChI=1S/C11H11F2NOS/c1-6(14)9-4-7-2-3-8(16-11(12)13)5-10(7)15-9/h2-6,11H,14H2,1H3
InChIKeyYEMDHYOSVCCLDN-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.77
Rot. Bonds3

About 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine

1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine (PubChem CID 54504092) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine
PubChem CID54504092
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC Name1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine
SMILESCC(N)c1cc2ccc(SC(F)F)cc2o1
InChIInChI=1S/C11H11F2NOS/c1-6(14)9-4-7-2-3-8(16-11(12)13)5-10(7)15-9/h2-6,11H,14H2,1H3
InChIKeyYEMDHYOSVCCLDN-UHFFFAOYSA-N
XLogP3.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine 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 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine (CID 54504092) is 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine is CC(N)c1cc2ccc(SC(F)F)cc2o1.
What is the InChIKey of 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine?
The InChIKey is YEMDHYOSVCCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NOS/c1-6(14)9-4-7-2-3-8(16-11(12)13)5-10(7)15-9/h2-6,11H,14H2,1H3.
What are the key properties of 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine?
1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine has a molecular weight of 243.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethylsulfanyl)-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 54504092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).