5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane

C5H3ClF8O2S — CID 11232283

IUPAC5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane
SMILESO=S(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3ClF8O2S/c6-17(15)16-1-3(9,10)5(13,14)4(11,12)2(7)8/h2H,1H2
InChIKeyPZHKXMCHASCBNC-UHFFFAOYSA-N
MW314.58 g/mol
LogP2.99
Rot. Bonds6

About 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane

5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane (PubChem CID 11232283) has the molecular formula C5H3ClF8O2S and a molecular weight of 314.58 g/mol. Its IUPAC name is 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane
PubChem CID11232283
Molecular FormulaC5H3ClF8O2S
Molecular Weight314.58 g/mol
Exact Mass313.94
IUPAC Name5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane
SMILESO=S(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3ClF8O2S/c6-17(15)16-1-3(9,10)5(13,14)4(11,12)2(7)8/h2H,1H2
InChIKeyPZHKXMCHASCBNC-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.58
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5-Octafluoropentyl hypochlorite
CID 12600159
1,1,2,2,3,3,4,4-Octafluoro-5-fluorosulfinyloxypentane
CID 12653221
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
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl sulfurochloridoite
CID 12711299

Frequently Asked Questions

What is the IUPAC name of 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane (CID 11232283) is 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane is O=S(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane?
The InChIKey is PZHKXMCHASCBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF8O2S/c6-17(15)16-1-3(9,10)5(13,14)4(11,12)2(7)8/h2H,1H2.
What are the key properties of 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane?
5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane has a molecular weight of 314.58 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorosulfinyloxy-1,1,2,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 11232283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).