(4-fluorosulfonyloxyphenyl) cyanate

C7H4FNO4S — CID 144973771

IUPAC(4-fluorosulfonyloxyphenyl) cyanate
SMILESN#COc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H4FNO4S/c8-14(10,11)13-7-3-1-6(2-4-7)12-5-9/h1-4H
InChIKeyMJVDQTNSHJFQFE-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.14
Rot. Bonds3

About (4-fluorosulfonyloxyphenyl) cyanate

(4-fluorosulfonyloxyphenyl) cyanate (PubChem CID 144973771) has the molecular formula C7H4FNO4S and a molecular weight of 217.18 g/mol. Its IUPAC name is (4-fluorosulfonyloxyphenyl) cyanate.

Molecular Properties

Compound Name(4-fluorosulfonyloxyphenyl) cyanate
PubChem CID144973771
Molecular FormulaC7H4FNO4S
Molecular Weight217.18 g/mol
Exact Mass216.98
IUPAC Name(4-fluorosulfonyloxyphenyl) cyanate
SMILESN#COc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H4FNO4S/c8-14(10,11)13-7-3-1-6(2-4-7)12-5-9/h1-4H
InChIKeyMJVDQTNSHJFQFE-UHFFFAOYSA-N
XLogP1.14
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorosulfonyloxyphenyl) cyanate?
The IUPAC name of (4-fluorosulfonyloxyphenyl) cyanate (CID 144973771) is (4-fluorosulfonyloxyphenyl) cyanate.
What is the SMILES notation for (4-fluorosulfonyloxyphenyl) cyanate?
The canonical SMILES for (4-fluorosulfonyloxyphenyl) cyanate is N#COc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of (4-fluorosulfonyloxyphenyl) cyanate?
The InChIKey is MJVDQTNSHJFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO4S/c8-14(10,11)13-7-3-1-6(2-4-7)12-5-9/h1-4H.
What are the key properties of (4-fluorosulfonyloxyphenyl) cyanate?
(4-fluorosulfonyloxyphenyl) cyanate has a molecular weight of 217.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorosulfonyloxyphenyl) cyanate is sourced from PubChem (CID 144973771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).