8-fluoro-1-nitro-10H-phenothiazine

C12H7FN2O2S — CID 134916042

IUPAC8-fluoro-1-nitro-10H-phenothiazine
SMILESO=[N+]([O-])c1cccc2c1Nc1cc(F)ccc1S2
InChIInChI=1S/C12H7FN2O2S/c13-7-4-5-10-8(6-7)14-12-9(15(16)17)2-1-3-11(12)18-10/h1-6,14H
InChIKeyUHFFPYWOPWGPGL-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.94
Rot. Bonds1

About 8-fluoro-1-nitro-10H-phenothiazine

8-fluoro-1-nitro-10H-phenothiazine (PubChem CID 134916042) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 8-fluoro-1-nitro-10H-phenothiazine.

Molecular Properties

Compound Name8-fluoro-1-nitro-10H-phenothiazine
PubChem CID134916042
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name8-fluoro-1-nitro-10H-phenothiazine
SMILESO=[N+]([O-])c1cccc2c1Nc1cc(F)ccc1S2
InChIInChI=1S/C12H7FN2O2S/c13-7-4-5-10-8(6-7)14-12-9(15(16)17)2-1-3-11(12)18-10/h1-6,14H
InChIKeyUHFFPYWOPWGPGL-UHFFFAOYSA-N
XLogP3.94
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-nitro-10H-phenothiazine?
The IUPAC name of 8-fluoro-1-nitro-10H-phenothiazine (CID 134916042) is 8-fluoro-1-nitro-10H-phenothiazine.
What is the SMILES notation for 8-fluoro-1-nitro-10H-phenothiazine?
The canonical SMILES for 8-fluoro-1-nitro-10H-phenothiazine is O=[N+]([O-])c1cccc2c1Nc1cc(F)ccc1S2.
What is the InChIKey of 8-fluoro-1-nitro-10H-phenothiazine?
The InChIKey is UHFFPYWOPWGPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-4-5-10-8(6-7)14-12-9(15(16)17)2-1-3-11(12)18-10/h1-6,14H.
What are the key properties of 8-fluoro-1-nitro-10H-phenothiazine?
8-fluoro-1-nitro-10H-phenothiazine has a molecular weight of 262.26 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-nitro-10H-phenothiazine is sourced from PubChem (CID 134916042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).