2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione

C16H10F3NO4 — CID 18970696

IUPAC2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione
SMILESCCNc1c(F)c(F)c2c(c1F)C(=O)c1c(O)ccc(O)c1C2=O
InChIInChI=1S/C16H10F3NO4/c1-2-20-14-12(18)10-9(11(17)13(14)19)15(23)7-5(21)3-4-6(22)8(7)16(10)24/h3-4,20-22H,2H2,1H3
InChIKeyFRDHDIOJTXPGGV-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.72
Rot. Bonds2

About 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione

2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione (PubChem CID 18970696) has the molecular formula C16H10F3NO4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione
PubChem CID18970696
Molecular FormulaC16H10F3NO4
Molecular Weight337.25 g/mol
Exact Mass337.06
IUPAC Name2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione
SMILESCCNc1c(F)c(F)c2c(c1F)C(=O)c1c(O)ccc(O)c1C2=O
InChIInChI=1S/C16H10F3NO4/c1-2-20-14-12(18)10-9(11(17)13(14)19)15(23)7-5(21)3-4-6(22)8(7)16(10)24/h3-4,20-22H,2H2,1H3
InChIKeyFRDHDIOJTXPGGV-UHFFFAOYSA-N
XLogP2.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione?
The IUPAC name of 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione (CID 18970696) is 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione is CCNc1c(F)c(F)c2c(c1F)C(=O)c1c(O)ccc(O)c1C2=O.
What is the InChIKey of 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione?
The InChIKey is FRDHDIOJTXPGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO4/c1-2-20-14-12(18)10-9(11(17)13(14)19)15(23)7-5(21)3-4-6(22)8(7)16(10)24/h3-4,20-22H,2H2,1H3.
What are the key properties of 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione?
2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione has a molecular weight of 337.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 18970696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).