1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate

C8H13F4O3S- — CID 58037033

IUPAC1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)CCCCCCO
InChIInChI=1S/C8H14F4O3S/c9-7(10,8(11,12)16(14)15)5-3-1-2-4-6-13/h13H,1-6H2,(H,14,15)/p-1
InChIKeyWYMFIVALPWVSSX-UHFFFAOYSA-M
MW265.25 g/mol
LogP2.04
Rot. Bonds8

About 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate

1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate (PubChem CID 58037033) has the molecular formula C8H13F4O3S- and a molecular weight of 265.25 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate
PubChem CID58037033
Molecular FormulaC8H13F4O3S-
Molecular Weight265.25 g/mol
Exact Mass265.05
IUPAC Name1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)CCCCCCO
InChIInChI=1S/C8H14F4O3S/c9-7(10,8(11,12)16(14)15)5-3-1-2-4-6-13/h13H,1-6H2,(H,14,15)/p-1
InChIKeyWYMFIVALPWVSSX-UHFFFAOYSA-M
XLogP2.04
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate 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

1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid
CID 58037034
1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate;triethylazanium
CID 86660801
1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfonate
CID 58037006
disodium;5-bromo-4,4,5,5-tetrafluoropentan-1-ol;methanesulfonate;1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfinate;1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate;triphenylsulfanium
CID 158888286
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
CID 58036986
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol
CID 88941942
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 54057329
8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate?
The IUPAC name of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate (CID 58037033) is 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate.
What is the SMILES notation for 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate?
The canonical SMILES for 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate is O=S([O-])C(F)(F)C(F)(F)CCCCCCO.
What is the InChIKey of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate?
The InChIKey is WYMFIVALPWVSSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14F4O3S/c9-7(10,8(11,12)16(14)15)5-3-1-2-4-6-13/h13H,1-6H2,(H,14,15)/p-1.
What are the key properties of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate?
1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate has a molecular weight of 265.25 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate is sourced from PubChem (CID 58037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).