1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid

C8H14F4O3S — CID 58037034

IUPAC1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid
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)
InChIKeyWYMFIVALPWVSSX-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.38
Rot. Bonds8

About 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid

1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid (PubChem CID 58037034) has the molecular formula C8H14F4O3S and a molecular weight of 266.26 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid
PubChem CID58037034
Molecular FormulaC8H14F4O3S
Molecular Weight266.26 g/mol
Exact Mass266.06
IUPAC Name1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid
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)
InChIKeyWYMFIVALPWVSSX-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate
CID 58037033
1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfonate
CID 58037006
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol
CID 88941942
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
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
1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
CID 58036986
hexane-1,6-diol;octane-1,8-diol
CID 21202869
trioctacontane-1,83-diol
CID 87526146

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid (CID 58037034) is 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid is O=S(O)C(F)(F)C(F)(F)CCCCCCO.
What is the InChIKey of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid?
The InChIKey is WYMFIVALPWVSSX-UHFFFAOYSA-N. 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).
What are the key properties of 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid?
1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid has a molecular weight of 266.26 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid is sourced from PubChem (CID 58037034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).