7-(trifluoromethyl)phenothiazin-3-one

C13H6F3NOS — CID 620167

IUPAC7-(trifluoromethyl)phenothiazin-3-one
SMILESO=c1ccc2nc3ccc(C(F)(F)F)cc3sc-2c1
InChIInChI=1S/C13H6F3NOS/c14-13(15,16)7-1-3-9-11(5-7)19-12-6-8(18)2-4-10(12)17-9/h1-6H
InChIKeyRDEOJCDIZULHGV-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.78
Rot. Bonds

About 7-(trifluoromethyl)phenothiazin-3-one

7-(trifluoromethyl)phenothiazin-3-one (PubChem CID 620167) has the molecular formula C13H6F3NOS and a molecular weight of 281.26 g/mol. Its IUPAC name is 7-(trifluoromethyl)phenothiazin-3-one.

Molecular Properties

Compound Name7-(trifluoromethyl)phenothiazin-3-one
PubChem CID620167
Molecular FormulaC13H6F3NOS
Molecular Weight281.26 g/mol
Exact Mass281.01
IUPAC Name7-(trifluoromethyl)phenothiazin-3-one
SMILESO=c1ccc2nc3ccc(C(F)(F)F)cc3sc-2c1
InChIInChI=1S/C13H6F3NOS/c14-13(15,16)7-1-3-9-11(5-7)19-12-6-8(18)2-4-10(12)17-9/h1-6H
InChIKeyRDEOJCDIZULHGV-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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Related Compounds

Phenothiazone
CID 68485
1,7-Dimethyl-phenothiazone
CID 369389
3H-Phenothiazin-3-one, 8-(trifluoromethyl)-
CID 620168
7-Fluoro-3H-phenothiazin-3-one
CID 13133814
7-Methylphenothiazin-3-one
CID 20202082
2-Methyl-phenothiazin-3-one
CID 22311479
9-Methyl-3H-phenothiazin-3-one
CID 71361141
2,7-Dimethyl-phenothiazone
CID 369391
1-Chloro-2,7-dimethyl-phenothiazone
CID 369393
8-Methylphenothiazin-3-one
CID 85784247
6-Methylphenothiazin-3-one
CID 85784251
1-Chloro-7-methyl-phenothiazone
CID 369385

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)phenothiazin-3-one?
The IUPAC name of 7-(trifluoromethyl)phenothiazin-3-one (CID 620167) is 7-(trifluoromethyl)phenothiazin-3-one.
What is the SMILES notation for 7-(trifluoromethyl)phenothiazin-3-one?
The canonical SMILES for 7-(trifluoromethyl)phenothiazin-3-one is O=c1ccc2nc3ccc(C(F)(F)F)cc3sc-2c1.
What is the InChIKey of 7-(trifluoromethyl)phenothiazin-3-one?
The InChIKey is RDEOJCDIZULHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3NOS/c14-13(15,16)7-1-3-9-11(5-7)19-12-6-8(18)2-4-10(12)17-9/h1-6H.
What are the key properties of 7-(trifluoromethyl)phenothiazin-3-one?
7-(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 7-(trifluoromethyl)phenothiazin-3-one is sourced from PubChem (CID 620167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).