1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane

C6H9F5OS — CID 168917802

IUPAC1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane
SMILESCOSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5OS/c1-12-13-4-2-3-5(7,8)6(9,10)11/h2-4H2,1H3
InChIKeyOKOBXXKWOHHPEA-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.26
Rot. Bonds5

About 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane

1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane (PubChem CID 168917802) has the molecular formula C6H9F5OS and a molecular weight of 224.19 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane
PubChem CID168917802
Molecular FormulaC6H9F5OS
Molecular Weight224.19 g/mol
Exact Mass224.03
IUPAC Name1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane
SMILESCOSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5OS/c1-12-13-4-2-3-5(7,8)6(9,10)11/h2-4H2,1H3
InChIKeyOKOBXXKWOHHPEA-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
1,1,1,2,2-pentafluorononadecane
CID 98452406
1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
CID 98454426
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
CID 164552375
dimethoxy(3,3,4,4,4-pentafluorobutyl)silane
CID 173012139
sodium 4,4,5,5,5-pentafluoropentane-1-thiolate
CID 59109811
propyl 2-(4,4,5,5,5-pentafluoropentylsulfanyl)hexanoate
CID 87341851
butyl 2-(4,4,5,5,5-pentafluoropentylsulfanyl)pentanoate
CID 87341290
1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane (CID 168917802) is 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane is COSCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane?
The InChIKey is OKOBXXKWOHHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5OS/c1-12-13-4-2-3-5(7,8)6(9,10)11/h2-4H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane?
1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane has a molecular weight of 224.19 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane is sourced from PubChem (CID 168917802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).