2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride

C5H3ClF8OS — CID 86033261

IUPAC2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride
SMILESO=S(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3ClF8OS/c6-16(15)1-3(9,10)5(13,14)4(11,12)2(7)8/h2H,1H2
InChIKeySLCFABVCTOAVEN-UHFFFAOYSA-N
MW298.58 g/mol
LogP3.06
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride

2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride (PubChem CID 86033261) has the molecular formula C5H3ClF8OS and a molecular weight of 298.58 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride
PubChem CID86033261
Molecular FormulaC5H3ClF8OS
Molecular Weight298.58 g/mol
Exact Mass297.95
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride
SMILESO=S(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3ClF8OS/c6-16(15)1-3(9,10)5(13,14)4(11,12)2(7)8/h2H,1H2
InChIKeySLCFABVCTOAVEN-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.58
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride (CID 86033261) is 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride is O=S(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride?
The InChIKey is SLCFABVCTOAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF8OS/c6-16(15)1-3(9,10)5(13,14)4(11,12)2(7)8/h2H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride?
2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride has a molecular weight of 298.58 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfinyl chloride is sourced from PubChem (CID 86033261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).