2,2-difluoro-2-thiophen-3-ylethanol

C6H6F2OS — CID 131546332

IUPAC2,2-difluoro-2-thiophen-3-ylethanol
SMILESOCC(F)(F)c1ccsc1
InChIInChI=1S/C6H6F2OS/c7-6(8,4-9)5-1-2-10-3-5/h1-3,9H,4H2
InChIKeyHQJJKKAOMSDXRF-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.83
Rot. Bonds2

About 2,2-difluoro-2-thiophen-3-ylethanol

2,2-difluoro-2-thiophen-3-ylethanol (PubChem CID 131546332) has the molecular formula C6H6F2OS and a molecular weight of 164.18 g/mol. Its IUPAC name is 2,2-difluoro-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name2,2-difluoro-2-thiophen-3-ylethanol
PubChem CID131546332
Molecular FormulaC6H6F2OS
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name2,2-difluoro-2-thiophen-3-ylethanol
SMILESOCC(F)(F)c1ccsc1
InChIInChI=1S/C6H6F2OS/c7-6(8,4-9)5-1-2-10-3-5/h1-3,9H,4H2
InChIKeyHQJJKKAOMSDXRF-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-2-thiophen-3-ylethanol 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-difluoro-2-thiophen-3-ylethanol?
The IUPAC name of 2,2-difluoro-2-thiophen-3-ylethanol (CID 131546332) is 2,2-difluoro-2-thiophen-3-ylethanol.
What is the SMILES notation for 2,2-difluoro-2-thiophen-3-ylethanol?
The canonical SMILES for 2,2-difluoro-2-thiophen-3-ylethanol is OCC(F)(F)c1ccsc1.
What is the InChIKey of 2,2-difluoro-2-thiophen-3-ylethanol?
The InChIKey is HQJJKKAOMSDXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2OS/c7-6(8,4-9)5-1-2-10-3-5/h1-3,9H,4H2.
What are the key properties of 2,2-difluoro-2-thiophen-3-ylethanol?
2,2-difluoro-2-thiophen-3-ylethanol has a molecular weight of 164.18 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-thiophen-3-ylethanol is sourced from PubChem (CID 131546332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).