2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol

C13H17F2NOS — CID 107484825

IUPAC2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1Cc2ccccc2S1
InChIInChI=1S/C13H17F2NOS/c14-13(15)9-16(5-6-17)8-11-7-10-3-1-2-4-12(10)18-11/h1-4,11,13,17H,5-9H2
InChIKeyLEYSJESHAWKTJC-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.26
Rot. Bonds6

About 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol (PubChem CID 107484825) has the molecular formula C13H17F2NOS and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol
PubChem CID107484825
Molecular FormulaC13H17F2NOS
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1Cc2ccccc2S1
InChIInChI=1S/C13H17F2NOS/c14-13(15)9-16(5-6-17)8-11-7-10-3-1-2-4-12(10)18-11/h1-4,11,13,17H,5-9H2
InChIKeyLEYSJESHAWKTJC-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol 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 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol (CID 107484825) is 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol is OCCN(CC(F)F)CC1Cc2ccccc2S1.
What is the InChIKey of 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol?
The InChIKey is LEYSJESHAWKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NOS/c14-13(15)9-16(5-6-17)8-11-7-10-3-1-2-4-12(10)18-11/h1-4,11,13,17H,5-9H2.
What are the key properties of 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol has a molecular weight of 273.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 107484825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).