2-(1,1,2,2-tetrafluoroethoxy)ethanethiol

C4H6F4OS — CID 87774043

IUPAC2-(1,1,2,2-tetrafluoroethoxy)ethanethiol
SMILESFC(F)C(F)(F)OCCS
InChIInChI=1S/C4H6F4OS/c5-3(6)4(7,8)9-1-2-10/h3,10H,1-2H2
InChIKeyIPWAIQFOWKKDNH-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.79
Rot. Bonds4

About 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol

2-(1,1,2,2-tetrafluoroethoxy)ethanethiol (PubChem CID 87774043) has the molecular formula C4H6F4OS and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxy)ethanethiol
PubChem CID87774043
Molecular FormulaC4H6F4OS
Molecular Weight178.15 g/mol
Exact Mass178.01
IUPAC Name2-(1,1,2,2-tetrafluoroethoxy)ethanethiol
SMILESFC(F)C(F)(F)OCCS
InChIInChI=1S/C4H6F4OS/c5-3(6)4(7,8)9-1-2-10/h3,10H,1-2H2
InChIKeyIPWAIQFOWKKDNH-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol 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-(1,1,2,2-tetrafluoroethoxy)ethanethiol?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol (CID 87774043) is 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol is FC(F)C(F)(F)OCCS.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol?
The InChIKey is IPWAIQFOWKKDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4OS/c5-3(6)4(7,8)9-1-2-10/h3,10H,1-2H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol?
2-(1,1,2,2-tetrafluoroethoxy)ethanethiol has a molecular weight of 178.15 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethoxy)ethanethiol is sourced from PubChem (CID 87774043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).