2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione

C17H10F4O3 — CID 21180057

IUPAC2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C17H10F4O3/c18-16(19)17(20,21)8-24-9-5-6-12-13(7-9)15(23)11-4-2-1-3-10(11)14(12)22/h1-7,16H,8H2
InChIKeyJOSVAJBTDWZESL-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.74
Rot. Bonds4

About 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione

2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione (PubChem CID 21180057) has the molecular formula C17H10F4O3 and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione
PubChem CID21180057
Molecular FormulaC17H10F4O3
Molecular Weight338.26 g/mol
Exact Mass338.06
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C17H10F4O3/c18-16(19)17(20,21)8-24-9-5-6-12-13(7-9)15(23)11-4-2-1-3-10(11)14(12)22/h1-7,16H,8H2
InChIKeyJOSVAJBTDWZESL-UHFFFAOYSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione (CID 21180057) is 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(OCC(F)(F)C(F)F)ccc21.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione?
The InChIKey is JOSVAJBTDWZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4O3/c18-16(19)17(20,21)8-24-9-5-6-12-13(7-9)15(23)11-4-2-1-3-10(11)14(12)22/h1-7,16H,8H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione?
2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione has a molecular weight of 338.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)anthracene-9,10-dione is sourced from PubChem (CID 21180057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).