9H-fluorene;2,2,2-trifluoroethanesulfonic acid

C15H13F3O3S — CID 160817133

IUPAC9H-fluorene;2,2,2-trifluoroethanesulfonic acid
SMILESO=S(=O)(O)CC(F)(F)F.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C2H3F3O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3-2(4,5)1-9(6,7)8/h1-8H,9H2;1H2,(H,6,7,8)
InChIKeySFAWYUANHQXMEO-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.69
Rot. Bonds1

About 9H-fluorene;2,2,2-trifluoroethanesulfonic acid

9H-fluorene;2,2,2-trifluoroethanesulfonic acid (PubChem CID 160817133) has the molecular formula C15H13F3O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is 9H-fluorene;2,2,2-trifluoroethanesulfonic acid.

Molecular Properties

Compound Name9H-fluorene;2,2,2-trifluoroethanesulfonic acid
PubChem CID160817133
Molecular FormulaC15H13F3O3S
Molecular Weight330.33 g/mol
Exact Mass330.05
IUPAC Name9H-fluorene;2,2,2-trifluoroethanesulfonic acid
SMILESO=S(=O)(O)CC(F)(F)F.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C2H3F3O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3-2(4,5)1-9(6,7)8/h1-8H,9H2;1H2,(H,6,7,8)
InChIKeySFAWYUANHQXMEO-UHFFFAOYSA-N
XLogP3.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;2,2,2-trifluoroethanesulfonic acid?
The IUPAC name of 9H-fluorene;2,2,2-trifluoroethanesulfonic acid (CID 160817133) is 9H-fluorene;2,2,2-trifluoroethanesulfonic acid.
What is the SMILES notation for 9H-fluorene;2,2,2-trifluoroethanesulfonic acid?
The canonical SMILES for 9H-fluorene;2,2,2-trifluoroethanesulfonic acid is O=S(=O)(O)CC(F)(F)F.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;2,2,2-trifluoroethanesulfonic acid?
The InChIKey is SFAWYUANHQXMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C2H3F3O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3-2(4,5)1-9(6,7)8/h1-8H,9H2;1H2,(H,6,7,8).
What are the key properties of 9H-fluorene;2,2,2-trifluoroethanesulfonic acid?
9H-fluorene;2,2,2-trifluoroethanesulfonic acid has a molecular weight of 330.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;2,2,2-trifluoroethanesulfonic acid is sourced from PubChem (CID 160817133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).