9-fluorobenzo[a]phenothiazin-5-one

C16H8FNOS — CID 19843926

IUPAC9-fluorobenzo[a]phenothiazin-5-one
SMILESO=c1cc2sc3cc(F)ccc3nc-2c2ccccc12
InChIInChI=1S/C16H8FNOS/c17-9-5-6-12-14(7-9)20-15-8-13(19)10-3-1-2-4-11(10)16(15)18-12/h1-8H
InChIKeyZAXDXGBXVWYMAI-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.05
Rot. Bonds

About 9-fluorobenzo[a]phenothiazin-5-one

9-fluorobenzo[a]phenothiazin-5-one (PubChem CID 19843926) has the molecular formula C16H8FNOS and a molecular weight of 281.31 g/mol. Its IUPAC name is 9-fluorobenzo[a]phenothiazin-5-one.

Molecular Properties

Compound Name9-fluorobenzo[a]phenothiazin-5-one
PubChem CID19843926
Molecular FormulaC16H8FNOS
Molecular Weight281.31 g/mol
Exact Mass281.03
IUPAC Name9-fluorobenzo[a]phenothiazin-5-one
SMILESO=c1cc2sc3cc(F)ccc3nc-2c2ccccc12
InChIInChI=1S/C16H8FNOS/c17-9-5-6-12-14(7-9)20-15-8-13(19)10-3-1-2-4-11(10)16(15)18-12/h1-8H
InChIKeyZAXDXGBXVWYMAI-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluorobenzo[a]phenothiazin-5-one?
The IUPAC name of 9-fluorobenzo[a]phenothiazin-5-one (CID 19843926) is 9-fluorobenzo[a]phenothiazin-5-one.
What is the SMILES notation for 9-fluorobenzo[a]phenothiazin-5-one?
The canonical SMILES for 9-fluorobenzo[a]phenothiazin-5-one is O=c1cc2sc3cc(F)ccc3nc-2c2ccccc12.
What is the InChIKey of 9-fluorobenzo[a]phenothiazin-5-one?
The InChIKey is ZAXDXGBXVWYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8FNOS/c17-9-5-6-12-14(7-9)20-15-8-13(19)10-3-1-2-4-11(10)16(15)18-12/h1-8H.
What are the key properties of 9-fluorobenzo[a]phenothiazin-5-one?
9-fluorobenzo[a]phenothiazin-5-one has a molecular weight of 281.31 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluorobenzo[a]phenothiazin-5-one is sourced from PubChem (CID 19843926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).