2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol

C5H6F6OS — CID 15435925

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol
SMILESFC(F)(F)C(OCCS)C(F)(F)F
InChIInChI=1S/C5H6F6OS/c6-4(7,8)3(5(9,10)11)12-1-2-13/h3,13H,1-2H2
InChIKeyJZQFYQQVRIQJFQ-UHFFFAOYSA-N
MW228.16 g/mol
LogP2.43
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol (PubChem CID 15435925) has the molecular formula C5H6F6OS and a molecular weight of 228.16 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol
PubChem CID15435925
Molecular FormulaC5H6F6OS
Molecular Weight228.16 g/mol
Exact Mass228.00
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol
SMILESFC(F)(F)C(OCCS)C(F)(F)F
InChIInChI=1S/C5H6F6OS/c6-4(7,8)3(5(9,10)11)12-1-2-13/h3,13H,1-2H2
InChIKeyJZQFYQQVRIQJFQ-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3,3-Pentafluoro-2-(fluoromethoxy)-1-propanethiol
CID 165362502
3,3,4,4-Tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane-1-thiol
CID 19771219
2-(3,3,3-Trifluoropropoxy)ethanethiol
CID 82957544
2-(1,1,2,2,2-Pentafluoroethoxy)ethanethiol
CID 87205863
2-(1,1,2,2-Tetrafluoroethoxy)ethanethiol
CID 87774043
1-(1,1,2,2,2-Pentafluoroethoxy)ethanethiol
CID 173032132
(3S)-3-(trifluoromethoxy)butane-2-thiol
CID 173895864
4,4,4-Trifluoro-3-methoxybutane-1-thiol
CID 174245775
2-(2,2,2-Trifluoroethoxy)ethane-1-thiol
CID 61490314
3-(2,2,2-Trifluoroethoxy)propane-1-thiol
CID 61491423
4-(1,1,1-Trifluoropropan-2-yloxy)butane-1-thiol
CID 80013997
3-(1,1,1-Trifluoropropan-2-yloxy)propane-1-thiol
CID 80013998

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol (CID 15435925) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol is FC(F)(F)C(OCCS)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol?
The InChIKey is JZQFYQQVRIQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6OS/c6-4(7,8)3(5(9,10)11)12-1-2-13/h3,13H,1-2H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol has a molecular weight of 228.16 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanethiol is sourced from PubChem (CID 15435925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).