2-fluoroanthracene-1-sulfonic acid

C14H9FO3S — CID 23054293

IUPAC2-fluoroanthracene-1-sulfonic acid
SMILESO=S(=O)(O)c1c(F)ccc2cc3ccccc3cc12
InChIInChI=1S/C14H9FO3S/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)19(16,17)18/h1-8H,(H,16,17,18)
InChIKeyWSUFRYOKVKTJQY-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.38
Rot. Bonds1

About 2-fluoroanthracene-1-sulfonic acid

2-fluoroanthracene-1-sulfonic acid (PubChem CID 23054293) has the molecular formula C14H9FO3S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-fluoroanthracene-1-sulfonic acid.

Molecular Properties

Compound Name2-fluoroanthracene-1-sulfonic acid
PubChem CID23054293
Molecular FormulaC14H9FO3S
Molecular Weight276.29 g/mol
Exact Mass276.03
IUPAC Name2-fluoroanthracene-1-sulfonic acid
SMILESO=S(=O)(O)c1c(F)ccc2cc3ccccc3cc12
InChIInChI=1S/C14H9FO3S/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)19(16,17)18/h1-8H,(H,16,17,18)
InChIKeyWSUFRYOKVKTJQY-UHFFFAOYSA-N
XLogP3.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 173016081
CID 173016081
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
1,3-dihydroxyanthracene-2-sulfonic acid
CID 91522972
2,6-difluorobenzenesulfonic acid
CID 14766952
4-fluoronaphthalene-2-sulfonic acid
CID 56841923
CID 159682573
CID 159682573
(2,3-difluoroanthracen-1-yl)sulfonyl 2,3-difluoroanthracene-1-sulfonate
CID 151369947
2,6-bis(trifluoromethyl)anthracene-1-sulfonic acid
CID 141325858
tetracene-2-sulfonic acid
CID 21483873
calcium anthracene-1,2-disulfonate
CID 166518917
2-fluoroanthracene-1-carbonitrile
CID 88757615
anthracene;ethane;methanesulfonic acid
CID 91545165

Frequently Asked Questions

What is the IUPAC name of 2-fluoroanthracene-1-sulfonic acid?
The IUPAC name of 2-fluoroanthracene-1-sulfonic acid (CID 23054293) is 2-fluoroanthracene-1-sulfonic acid.
What is the SMILES notation for 2-fluoroanthracene-1-sulfonic acid?
The canonical SMILES for 2-fluoroanthracene-1-sulfonic acid is O=S(=O)(O)c1c(F)ccc2cc3ccccc3cc12.
What is the InChIKey of 2-fluoroanthracene-1-sulfonic acid?
The InChIKey is WSUFRYOKVKTJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3S/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)19(16,17)18/h1-8H,(H,16,17,18).
What are the key properties of 2-fluoroanthracene-1-sulfonic acid?
2-fluoroanthracene-1-sulfonic acid has a molecular weight of 276.29 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroanthracene-1-sulfonic acid is sourced from PubChem (CID 23054293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).