1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane

C5H3F9O2S — CID 12653221

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane
SMILESO=S(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F9O2S/c6-2(7)4(10,11)5(12,13)3(8,9)1-16-17(14)15/h2H,1H2
InChIKeyYIBSYKXUBOTLKY-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.72
Rot. Bonds6

About 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane

1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane (PubChem CID 12653221) has the molecular formula C5H3F9O2S and a molecular weight of 298.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane
PubChem CID12653221
Molecular FormulaC5H3F9O2S
Molecular Weight298.13 g/mol
Exact Mass297.97
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane
SMILESO=S(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F9O2S/c6-2(7)4(10,11)5(12,13)3(8,9)1-16-17(14)15/h2H,1H2
InChIKeyYIBSYKXUBOTLKY-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chlorosulfurous acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 11232283
Trifluoro(2,2,3,3,4,4,5,5-octafluoropentoxy)-lambda4-sulfane
CID 12653218
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl sulfurofluoridoite
CID 12653222
1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, 1,1'-sulfite
CID 13577952
(2,2,3,3,4,4,5,5-Octafluoropentylsulfate)anion
CID 59008522
1,1,2,2,3,3,4,4,4-Nonafluorobutyl 2,2,2-trifluoroethyl sulfite
CID 87155902
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl sulfite
CID 174745893
2,2,3,3,4,4,4-Heptafluorobutyl sulfite
CID 174847964

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane (CID 12653221) is 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane is O=S(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane?
The InChIKey is YIBSYKXUBOTLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O2S/c6-2(7)4(10,11)5(12,13)3(8,9)1-16-17(14)15/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane?
1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane has a molecular weight of 298.13 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-fluorosulfinyloxypentane is sourced from PubChem (CID 12653221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).