1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol

C6H6F8OS — CID 118098168

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol
SMILESCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S
InChIInChI=1S/C6H6F8OS/c1-2-3(7,8)4(9,10)15-5(11,12)6(13,14)16/h16H,2H2,1H3
InChIKeyFDUUIVFYNNNSHW-UHFFFAOYSA-N
MW278.16 g/mol
LogP3.76
Rot. Bonds5

About 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol (PubChem CID 118098168) has the molecular formula C6H6F8OS and a molecular weight of 278.16 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol
PubChem CID118098168
Molecular FormulaC6H6F8OS
Molecular Weight278.16 g/mol
Exact Mass278.00
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol
SMILESCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S
InChIInChI=1S/C6H6F8OS/c1-2-3(7,8)4(9,10)15-5(11,12)6(13,14)16/h16H,2H2,1H3
InChIKeyFDUUIVFYNNNSHW-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 53.76
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 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol (CID 118098168) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol is CCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol?
The InChIKey is FDUUIVFYNNNSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8OS/c1-2-3(7,8)4(9,10)15-5(11,12)6(13,14)16/h16H,2H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol has a molecular weight of 278.16 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol is sourced from PubChem (CID 118098168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).