5-iodo-1-(trifluoromethyl)phenothiazine

C13H7F3INS — CID 140584252

IUPAC5-iodo-1-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1cccc2c1=Nc1ccccc1S=2I
InChIInChI=1S/C13H7F3INS/c14-13(15,16)8-4-3-7-11-12(8)18-9-5-1-2-6-10(9)19(11)17/h1-7H
InChIKeyZBOMCLXEPWXQGD-UHFFFAOYSA-N
MW393.17 g/mol
LogP4.90
Rot. Bonds

About 5-iodo-1-(trifluoromethyl)phenothiazine

5-iodo-1-(trifluoromethyl)phenothiazine (PubChem CID 140584252) has the molecular formula C13H7F3INS and a molecular weight of 393.17 g/mol. Its IUPAC name is 5-iodo-1-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name5-iodo-1-(trifluoromethyl)phenothiazine
PubChem CID140584252
Molecular FormulaC13H7F3INS
Molecular Weight393.17 g/mol
Exact Mass392.93
IUPAC Name5-iodo-1-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1cccc2c1=Nc1ccccc1S=2I
InChIInChI=1S/C13H7F3INS/c14-13(15,16)8-4-3-7-11-12(8)18-9-5-1-2-6-10(9)19(11)17/h1-7H
InChIKeyZBOMCLXEPWXQGD-UHFFFAOYSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.17
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(trifluoromethyl)phenothiazine?
The IUPAC name of 5-iodo-1-(trifluoromethyl)phenothiazine (CID 140584252) is 5-iodo-1-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 5-iodo-1-(trifluoromethyl)phenothiazine?
The canonical SMILES for 5-iodo-1-(trifluoromethyl)phenothiazine is FC(F)(F)c1cccc2c1=Nc1ccccc1S=2I.
What is the InChIKey of 5-iodo-1-(trifluoromethyl)phenothiazine?
The InChIKey is ZBOMCLXEPWXQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3INS/c14-13(15,16)8-4-3-7-11-12(8)18-9-5-1-2-6-10(9)19(11)17/h1-7H.
What are the key properties of 5-iodo-1-(trifluoromethyl)phenothiazine?
5-iodo-1-(trifluoromethyl)phenothiazine has a molecular weight of 393.17 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 140584252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).