2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite

C6H2F11O3S- — CID 174745893

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite
SMILESO=S([O-])OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O3S/c7-2(8,1-20-21(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19)/p-1
InChIKeyOGODKNKYLNBYHS-UHFFFAOYSA-M
MW363.12 g/mol
LogP2.90
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite (PubChem CID 174745893) has the molecular formula C6H2F11O3S- and a molecular weight of 363.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite
PubChem CID174745893
Molecular FormulaC6H2F11O3S-
Molecular Weight363.12 g/mol
Exact Mass362.96
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite
SMILESO=S([O-])OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O3S/c7-2(8,1-20-21(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19)/p-1
InChIKeyOGODKNKYLNBYHS-UHFFFAOYSA-M
XLogP2.90
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.12
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite 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

2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl trifluoromethanesulfonate
CID 10928174
Chlorosulfurous acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 11232283
1,1,2,2,3,3,4,4-Octafluoro-5-fluorosulfinyloxypentane
CID 12653221
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl sulfurofluoridoite
CID 12653222
1,2,2,3,3,4,4,5,5,6,6-Undecafluorohexyl trifluoromethanesulfonate
CID 19428688
1,2,2,3,3,4,4,5,5,6,6-Undecafluorohexyl hypofluorite
CID 20600107
1,2,2,3,3,4,4,5,5,6,6,6-Dodecafluorohexyl trifluoromethanesulfonate
CID 53667895
2,2,2-Trifluoroethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 87155444
1,3,3,4,4,5,5,6,6,6-Decafluorohexyl trifluoromethanesulfonate
CID 88420430
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl sulfate
CID 153691945
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl sulfurochloridoite
CID 12711299
2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl hydrogen sulfite
CID 174745894

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite (CID 174745893) is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite is O=S([O-])OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite?
The InChIKey is OGODKNKYLNBYHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F11O3S/c7-2(8,1-20-21(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19)/p-1.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite?
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite has a molecular weight of 363.12 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl sulfite is sourced from PubChem (CID 174745893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).