[9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate

C15H6F6O7S2 — CID 135032459

IUPAC[9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate
SMILESO=C1c2ccccc2-c2c(OS(=O)(=O)C(F)(F)F)ccc(OS(=O)(=O)C(F)(F)F)c21
InChIInChI=1S/C15H6F6O7S2/c16-14(17,18)29(23,24)27-9-5-6-10(28-30(25,26)15(19,20)21)12-11(9)7-3-1-2-4-8(7)13(12)22/h1-6H
InChIKeyKOERCUFBKCRZAL-UHFFFAOYSA-N
MW476.33 g/mol
LogP3.35
Rot. Bonds4

About [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate

[9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate (PubChem CID 135032459) has the molecular formula C15H6F6O7S2 and a molecular weight of 476.33 g/mol. Its IUPAC name is [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate
PubChem CID135032459
Molecular FormulaC15H6F6O7S2
Molecular Weight476.33 g/mol
Exact Mass475.95
IUPAC Name[9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate
SMILESO=C1c2ccccc2-c2c(OS(=O)(=O)C(F)(F)F)ccc(OS(=O)(=O)C(F)(F)F)c21
InChIInChI=1S/C15H6F6O7S2/c16-14(17,18)29(23,24)27-9-5-6-10(28-30(25,26)15(19,20)21)12-11(9)7-3-1-2-4-8(7)13(12)22/h1-6H
InChIKeyKOERCUFBKCRZAL-UHFFFAOYSA-N
XLogP3.35
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(Trifluoromethylsulfonyloxy)benzoyl]phenyl] trifluoromethanesulfonate
CID 56850364
Anthraquinone triflate
CID 14493642
Fluorenone triflate
CID 56693717
Fluoren-9-one, 1,4-dihydroxy-
CID 611427
[11-Oxo-10-(trifluoromethylsulfonyloxy)benzo[b]fluoren-5-yl] trifluoromethanesulfonate
CID 49871208
[12-Oxo-10-(trifluoromethylsulfonyloxy)-3-tetracyclo[11.4.1.02,11.04,9]octadeca-2,4,6,8,10,13(18),14,16-octaenyl] trifluoromethanesulfonate
CID 135017607
[5,8-Dioxo-4,6-bis(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
CID 10603671
[5,8-Dioxo-4-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
CID 10813578
[3-Benzoyl-4-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 10885284
(1-Oxo-2,3-dihydroinden-5-yl) trifluoromethanesulfonate
CID 11471497
1,4-Bis(trifluoromethylsulfonyloxy)anthracene-9,10-dione
CID 13413807
1-oxo-2,3-dihydro-1H-inden-4-yl trifluoromethanesulfonate
CID 21838002

Frequently Asked Questions

What is the IUPAC name of [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate?
The IUPAC name of [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate (CID 135032459) is [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate.
What is the SMILES notation for [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate?
The canonical SMILES for [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate is O=C1c2ccccc2-c2c(OS(=O)(=O)C(F)(F)F)ccc(OS(=O)(=O)C(F)(F)F)c21.
What is the InChIKey of [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate?
The InChIKey is KOERCUFBKCRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F6O7S2/c16-14(17,18)29(23,24)27-9-5-6-10(28-30(25,26)15(19,20)21)12-11(9)7-3-1-2-4-8(7)13(12)22/h1-6H.
What are the key properties of [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate?
[9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate has a molecular weight of 476.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [9-oxo-1-(trifluoromethylsulfonyloxy)fluoren-4-yl] trifluoromethanesulfonate is sourced from PubChem (CID 135032459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).