5-fluoro-2-imino-3H-inden-1-one

C9H6FNO — CID 144974233

IUPAC5-fluoro-2-imino-3H-inden-1-one
SMILES[H]/N=C1\Cc2cc(F)ccc2C1=O
InChIInChI=1S/C9H6FNO/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,11H,4H2/b11-8+
InChIKeyZWZGOUJIBXBYBH-DHZHZOJOSA-N
MW163.15 g/mol
LogP1.58
Rot. Bonds

About 5-fluoro-2-imino-3H-inden-1-one

5-fluoro-2-imino-3H-inden-1-one (PubChem CID 144974233) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-fluoro-2-imino-3H-inden-1-one.

Molecular Properties

Compound Name5-fluoro-2-imino-3H-inden-1-one
PubChem CID144974233
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name5-fluoro-2-imino-3H-inden-1-one
SMILES[H]/N=C1\Cc2cc(F)ccc2C1=O
InChIInChI=1S/C9H6FNO/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,11H,4H2/b11-8+
InChIKeyZWZGOUJIBXBYBH-DHZHZOJOSA-N
XLogP1.58
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-imino-3H-inden-1-one?
The IUPAC name of 5-fluoro-2-imino-3H-inden-1-one (CID 144974233) is 5-fluoro-2-imino-3H-inden-1-one.
What is the SMILES notation for 5-fluoro-2-imino-3H-inden-1-one?
The canonical SMILES for 5-fluoro-2-imino-3H-inden-1-one is [H]/N=C1\Cc2cc(F)ccc2C1=O.
What is the InChIKey of 5-fluoro-2-imino-3H-inden-1-one?
The InChIKey is ZWZGOUJIBXBYBH-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H6FNO/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,11H,4H2/b11-8+.
What are the key properties of 5-fluoro-2-imino-3H-inden-1-one?
5-fluoro-2-imino-3H-inden-1-one has a molecular weight of 163.15 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-imino-3H-inden-1-one is sourced from PubChem (CID 144974233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).