1-fluorosulfonyloxy-3-(trifluoromethyl)benzene

C7H4F4O3S — CID 71651266

IUPAC1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
SMILESO=S(=O)(F)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H4F4O3S/c8-7(9,10)5-2-1-3-6(4-5)14-15(11,12)13/h1-4H
InChIKeyKPMGDOAPTQZMJY-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.30
Rot. Bonds2

About 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene

1-fluorosulfonyloxy-3-(trifluoromethyl)benzene (PubChem CID 71651266) has the molecular formula C7H4F4O3S and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
PubChem CID71651266
Molecular FormulaC7H4F4O3S
Molecular Weight244.17 g/mol
Exact Mass243.98
IUPAC Name1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
SMILESO=S(=O)(F)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H4F4O3S/c8-7(9,10)5-2-1-3-6(4-5)14-15(11,12)13/h1-4H
InChIKeyKPMGDOAPTQZMJY-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene (CID 71651266) is 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene is O=S(=O)(F)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene?
The InChIKey is KPMGDOAPTQZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O3S/c8-7(9,10)5-2-1-3-6(4-5)14-15(11,12)13/h1-4H.
What are the key properties of 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene?
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene has a molecular weight of 244.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 71651266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).