3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol

C8H10F8OS — CID 87063801

IUPAC3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol
SMILESOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS
InChIInChI=1S/C8H10F8OS/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h17-18H,1-4H2
InChIKeyLOPQESBCZBYWAD-UHFFFAOYSA-N
MW306.22 g/mol
LogP3.23
Rot. Bonds7

About 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol

3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol (PubChem CID 87063801) has the molecular formula C8H10F8OS and a molecular weight of 306.22 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol
PubChem CID87063801
Molecular FormulaC8H10F8OS
Molecular Weight306.22 g/mol
Exact Mass306.03
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol
SMILESOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS
InChIInChI=1S/C8H10F8OS/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h17-18H,1-4H2
InChIKeyLOPQESBCZBYWAD-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
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 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol (CID 87063801) is 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol is OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol?
The InChIKey is LOPQESBCZBYWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8OS/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h17-18H,1-4H2.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol?
3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol has a molecular weight of 306.22 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol is sourced from PubChem (CID 87063801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).