2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol

C4H5F5OS — CID 87205863

IUPAC2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol
SMILESFC(F)(F)C(F)(F)OCCS
InChIInChI=1S/C4H5F5OS/c5-3(6,7)4(8,9)10-1-2-11/h11H,1-2H2
InChIKeyBOKSUJCZXZFYGE-UHFFFAOYSA-N
MW196.14 g/mol
LogP2.09
Rot. Bonds3

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

2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol (PubChem CID 87205863) has the molecular formula C4H5F5OS and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol
PubChem CID87205863
Molecular FormulaC4H5F5OS
Molecular Weight196.14 g/mol
Exact Mass196.00
IUPAC Name2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol
SMILESFC(F)(F)C(F)(F)OCCS
InChIInChI=1S/C4H5F5OS/c5-3(6,7)4(8,9)10-1-2-11/h11H,1-2H2
InChIKeyBOKSUJCZXZFYGE-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol (CID 87205863) is 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol is FC(F)(F)C(F)(F)OCCS.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol?
The InChIKey is BOKSUJCZXZFYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5OS/c5-3(6,7)4(8,9)10-1-2-11/h11H,1-2H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol?
2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol has a molecular weight of 196.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethoxy)ethanethiol is sourced from PubChem (CID 87205863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).