(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid

C4H5FO4S — CID 118629629

IUPAC(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid
SMILESO=S(=O)(O)C12CC1(O)[C@H]2F
InChIInChI=1S/C4H5FO4S/c5-2-3(6)1-4(2,3)10(7,8)9/h2,6H,1H2,(H,7,8,9)/t2-,3?,4?/m1/s1
InChIKeyDLIWDYDRRNDOAA-KFVOUYQTSA-N
MW168.14 g/mol
LogP-0.90
Rot. Bonds1

About (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid

(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid (PubChem CID 118629629) has the molecular formula C4H5FO4S and a molecular weight of 168.14 g/mol. Its IUPAC name is (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid
PubChem CID118629629
Molecular FormulaC4H5FO4S
Molecular Weight168.14 g/mol
Exact Mass167.99
IUPAC Name(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid
SMILESO=S(=O)(O)C12CC1(O)[C@H]2F
InChIInChI=1S/C4H5FO4S/c5-2-3(6)1-4(2,3)10(7,8)9/h2,6H,1H2,(H,7,8,9)/t2-,3?,4?/m1/s1
InChIKeyDLIWDYDRRNDOAA-KFVOUYQTSA-N
XLogP-0.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid?
The IUPAC name of (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid (CID 118629629) is (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid.
What is the SMILES notation for (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid?
The canonical SMILES for (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid is O=S(=O)(O)C12CC1(O)[C@H]2F.
What is the InChIKey of (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid?
The InChIKey is DLIWDYDRRNDOAA-KFVOUYQTSA-N. The full InChI is InChI=1S/C4H5FO4S/c5-2-3(6)1-4(2,3)10(7,8)9/h2,6H,1H2,(H,7,8,9)/t2-,3?,4?/m1/s1.
What are the key properties of (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid?
(2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid has a molecular weight of 168.14 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-hydroxybicyclo[1.1.0]butane-1-sulfonic acid is sourced from PubChem (CID 118629629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).