(2-fluorosulfonylphenyl) dihydrogen phosphate

C6H6FO6PS — CID 175215288

IUPAC(2-fluorosulfonylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1S(=O)(=O)F
InChIInChI=1S/C6H6FO6PS/c7-15(11,12)6-4-2-1-3-5(6)13-14(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyCDKAZCJXTYSCLX-UHFFFAOYSA-N
MW256.15 g/mol
LogP0.82
Rot. Bonds3

About (2-fluorosulfonylphenyl) dihydrogen phosphate

(2-fluorosulfonylphenyl) dihydrogen phosphate (PubChem CID 175215288) has the molecular formula C6H6FO6PS and a molecular weight of 256.15 g/mol. Its IUPAC name is (2-fluorosulfonylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-fluorosulfonylphenyl) dihydrogen phosphate
PubChem CID175215288
Molecular FormulaC6H6FO6PS
Molecular Weight256.15 g/mol
Exact Mass255.96
IUPAC Name(2-fluorosulfonylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccccc1S(=O)(=O)F
InChIInChI=1S/C6H6FO6PS/c7-15(11,12)6-4-2-1-3-5(6)13-14(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyCDKAZCJXTYSCLX-UHFFFAOYSA-N
XLogP0.82
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorosulfonylphenyl) dihydrogen phosphate?
The IUPAC name of (2-fluorosulfonylphenyl) dihydrogen phosphate (CID 175215288) is (2-fluorosulfonylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-fluorosulfonylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-fluorosulfonylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccccc1S(=O)(=O)F.
What is the InChIKey of (2-fluorosulfonylphenyl) dihydrogen phosphate?
The InChIKey is CDKAZCJXTYSCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FO6PS/c7-15(11,12)6-4-2-1-3-5(6)13-14(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of (2-fluorosulfonylphenyl) dihydrogen phosphate?
(2-fluorosulfonylphenyl) dihydrogen phosphate has a molecular weight of 256.15 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorosulfonylphenyl) dihydrogen phosphate is sourced from PubChem (CID 175215288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).