2,2-difluoro-2-(thietan-3-yl)ethanol

C5H8F2OS — CID 105430067

IUPAC2,2-difluoro-2-(thietan-3-yl)ethanol
SMILESOCC(F)(F)C1CSC1
InChIInChI=1S/C5H8F2OS/c6-5(7,3-8)4-1-9-2-4/h4,8H,1-3H2
InChIKeyWXHIVJDIOBQTOI-UHFFFAOYSA-N
MW154.18 g/mol
LogP0.98
Rot. Bonds2

About 2,2-difluoro-2-(thietan-3-yl)ethanol

2,2-difluoro-2-(thietan-3-yl)ethanol (PubChem CID 105430067) has the molecular formula C5H8F2OS and a molecular weight of 154.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(thietan-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(thietan-3-yl)ethanol
PubChem CID105430067
Molecular FormulaC5H8F2OS
Molecular Weight154.18 g/mol
Exact Mass154.03
IUPAC Name2,2-difluoro-2-(thietan-3-yl)ethanol
SMILESOCC(F)(F)C1CSC1
InChIInChI=1S/C5H8F2OS/c6-5(7,3-8)4-1-9-2-4/h4,8H,1-3H2
InChIKeyWXHIVJDIOBQTOI-UHFFFAOYSA-N
XLogP0.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-2-(thietan-3-yl)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-difluoro-2-(thietan-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(thietan-3-yl)ethanol (CID 105430067) is 2,2-difluoro-2-(thietan-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(thietan-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(thietan-3-yl)ethanol is OCC(F)(F)C1CSC1.
What is the InChIKey of 2,2-difluoro-2-(thietan-3-yl)ethanol?
The InChIKey is WXHIVJDIOBQTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2OS/c6-5(7,3-8)4-1-9-2-4/h4,8H,1-3H2.
What are the key properties of 2,2-difluoro-2-(thietan-3-yl)ethanol?
2,2-difluoro-2-(thietan-3-yl)ethanol has a molecular weight of 154.18 g/mol, XLogP of 0.98, 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-(thietan-3-yl)ethanol is sourced from PubChem (CID 105430067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).