1-cyano-4-fluorosulfonyloxybenzene

C7H4FNO3S — CID 121278730

IUPAC1-cyano-4-fluorosulfonyloxybenzene
SMILESN#Cc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H4FNO3S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-4H
InChIKeyQVLLNLVBRUJXHZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.15
Rot. Bonds2

About 1-cyano-4-fluorosulfonyloxybenzene

1-cyano-4-fluorosulfonyloxybenzene (PubChem CID 121278730) has the molecular formula C7H4FNO3S and a molecular weight of 201.18 g/mol. Its IUPAC name is 1-cyano-4-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-cyano-4-fluorosulfonyloxybenzene
PubChem CID121278730
Molecular FormulaC7H4FNO3S
Molecular Weight201.18 g/mol
Exact Mass200.99
IUPAC Name1-cyano-4-fluorosulfonyloxybenzene
SMILESN#Cc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H4FNO3S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-4H
InChIKeyQVLLNLVBRUJXHZ-UHFFFAOYSA-N
XLogP1.15
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-4-fluorosulfonyloxybenzene?
The IUPAC name of 1-cyano-4-fluorosulfonyloxybenzene (CID 121278730) is 1-cyano-4-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-cyano-4-fluorosulfonyloxybenzene?
The canonical SMILES for 1-cyano-4-fluorosulfonyloxybenzene is N#Cc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-cyano-4-fluorosulfonyloxybenzene?
The InChIKey is QVLLNLVBRUJXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-4H.
What are the key properties of 1-cyano-4-fluorosulfonyloxybenzene?
1-cyano-4-fluorosulfonyloxybenzene has a molecular weight of 201.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-4-fluorosulfonyloxybenzene is sourced from PubChem (CID 121278730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).