8-(trifluoromethyl)phenothiazin-3-one

C13H6F3NOS — CID 620168

IUPAC8-(trifluoromethyl)phenothiazin-3-one
SMILESO=c1ccc2nc3cc(C(F)(F)F)ccc3sc-2c1
InChIInChI=1S/C13H6F3NOS/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18)6-12(9)19-11/h1-6H
InChIKeyBUCLOGIWSPYWNF-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.78
Rot. Bonds

About 8-(trifluoromethyl)phenothiazin-3-one

8-(trifluoromethyl)phenothiazin-3-one (PubChem CID 620168) has the molecular formula C13H6F3NOS and a molecular weight of 281.26 g/mol. Its IUPAC name is 8-(trifluoromethyl)phenothiazin-3-one.

Molecular Properties

Compound Name8-(trifluoromethyl)phenothiazin-3-one
PubChem CID620168
Molecular FormulaC13H6F3NOS
Molecular Weight281.26 g/mol
Exact Mass281.01
IUPAC Name8-(trifluoromethyl)phenothiazin-3-one
SMILESO=c1ccc2nc3cc(C(F)(F)F)ccc3sc-2c1
InChIInChI=1S/C13H6F3NOS/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18)6-12(9)19-11/h1-6H
InChIKeyBUCLOGIWSPYWNF-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)phenothiazin-3-one?
The IUPAC name of 8-(trifluoromethyl)phenothiazin-3-one (CID 620168) is 8-(trifluoromethyl)phenothiazin-3-one.
What is the SMILES notation for 8-(trifluoromethyl)phenothiazin-3-one?
The canonical SMILES for 8-(trifluoromethyl)phenothiazin-3-one is O=c1ccc2nc3cc(C(F)(F)F)ccc3sc-2c1.
What is the InChIKey of 8-(trifluoromethyl)phenothiazin-3-one?
The InChIKey is BUCLOGIWSPYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3NOS/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18)6-12(9)19-11/h1-6H.
What are the key properties of 8-(trifluoromethyl)phenothiazin-3-one?
8-(trifluoromethyl)phenothiazin-3-one has a molecular weight of 281.26 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)phenothiazin-3-one is sourced from PubChem (CID 620168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).