1,1-difluoro-5-hydroxypentane-1-sulfinic acid

C5H10F2O3S — CID 58036981

IUPAC1,1-difluoro-5-hydroxypentane-1-sulfinic acid
SMILESO=S(O)C(F)(F)CCCCO
InChIInChI=1S/C5H10F2O3S/c6-5(7,11(9)10)3-1-2-4-8/h8H,1-4H2,(H,9,10)
InChIKeyFKZQOSAKPSGKOA-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.96
Rot. Bonds5

About 1,1-difluoro-5-hydroxypentane-1-sulfinic acid

1,1-difluoro-5-hydroxypentane-1-sulfinic acid (PubChem CID 58036981) has the molecular formula C5H10F2O3S and a molecular weight of 188.19 g/mol. Its IUPAC name is 1,1-difluoro-5-hydroxypentane-1-sulfinic acid.

Molecular Properties

Compound Name1,1-difluoro-5-hydroxypentane-1-sulfinic acid
PubChem CID58036981
Molecular FormulaC5H10F2O3S
Molecular Weight188.19 g/mol
Exact Mass188.03
IUPAC Name1,1-difluoro-5-hydroxypentane-1-sulfinic acid
SMILESO=S(O)C(F)(F)CCCCO
InChIInChI=1S/C5H10F2O3S/c6-5(7,11(9)10)3-1-2-4-8/h8H,1-4H2,(H,9,10)
InChIKeyFKZQOSAKPSGKOA-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-hydroxypentane-1-sulfinic acid?
The IUPAC name of 1,1-difluoro-5-hydroxypentane-1-sulfinic acid (CID 58036981) is 1,1-difluoro-5-hydroxypentane-1-sulfinic acid.
What is the SMILES notation for 1,1-difluoro-5-hydroxypentane-1-sulfinic acid?
The canonical SMILES for 1,1-difluoro-5-hydroxypentane-1-sulfinic acid is O=S(O)C(F)(F)CCCCO.
What is the InChIKey of 1,1-difluoro-5-hydroxypentane-1-sulfinic acid?
The InChIKey is FKZQOSAKPSGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O3S/c6-5(7,11(9)10)3-1-2-4-8/h8H,1-4H2,(H,9,10).
What are the key properties of 1,1-difluoro-5-hydroxypentane-1-sulfinic acid?
1,1-difluoro-5-hydroxypentane-1-sulfinic acid has a molecular weight of 188.19 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-hydroxypentane-1-sulfinic acid is sourced from PubChem (CID 58036981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).