9H-fluoren-9-yl trifluoromethanesulfonate

C14H9F3O3S — CID 102621312

IUPAC9H-fluoren-9-yl trifluoromethanesulfonate
SMILESO=S(=O)(OC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C14H9F3O3S/c15-14(16,17)21(18,19)20-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKeyLTKGVOITUUBADJ-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.62
Rot. Bonds2

About 9H-fluoren-9-yl trifluoromethanesulfonate

9H-fluoren-9-yl trifluoromethanesulfonate (PubChem CID 102621312) has the molecular formula C14H9F3O3S and a molecular weight of 314.28 g/mol. Its IUPAC name is 9H-fluoren-9-yl trifluoromethanesulfonate.

Molecular Properties

Compound Name9H-fluoren-9-yl trifluoromethanesulfonate
PubChem CID102621312
Molecular FormulaC14H9F3O3S
Molecular Weight314.28 g/mol
Exact Mass314.02
IUPAC Name9H-fluoren-9-yl trifluoromethanesulfonate
SMILESO=S(=O)(OC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C14H9F3O3S/c15-14(16,17)21(18,19)20-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKeyLTKGVOITUUBADJ-UHFFFAOYSA-N
XLogP3.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl trifluoromethanesulfonate?
The IUPAC name of 9H-fluoren-9-yl trifluoromethanesulfonate (CID 102621312) is 9H-fluoren-9-yl trifluoromethanesulfonate.
What is the SMILES notation for 9H-fluoren-9-yl trifluoromethanesulfonate?
The canonical SMILES for 9H-fluoren-9-yl trifluoromethanesulfonate is O=S(=O)(OC1c2ccccc2-c2ccccc21)C(F)(F)F.
What is the InChIKey of 9H-fluoren-9-yl trifluoromethanesulfonate?
The InChIKey is LTKGVOITUUBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3S/c15-14(16,17)21(18,19)20-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H.
What are the key properties of 9H-fluoren-9-yl trifluoromethanesulfonate?
9H-fluoren-9-yl trifluoromethanesulfonate has a molecular weight of 314.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl trifluoromethanesulfonate is sourced from PubChem (CID 102621312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).