2-(trifluoromethyl)-1H-phenothiazine

C13H8F3NS — CID 71334002

IUPAC2-(trifluoromethyl)-1H-phenothiazine
SMILESFC(F)(F)C1=CC=C2Sc3ccccc3N=C2C1
InChIInChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-6H,7H2
InChIKeyZUPBRAFYYASUAC-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.64
Rot. Bonds

About 2-(trifluoromethyl)-1H-phenothiazine

2-(trifluoromethyl)-1H-phenothiazine (PubChem CID 71334002) has the molecular formula C13H8F3NS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-phenothiazine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-phenothiazine
PubChem CID71334002
Molecular FormulaC13H8F3NS
Molecular Weight267.28 g/mol
Exact Mass267.03
IUPAC Name2-(trifluoromethyl)-1H-phenothiazine
SMILESFC(F)(F)C1=CC=C2Sc3ccccc3N=C2C1
InChIInChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-6H,7H2
InChIKeyZUPBRAFYYASUAC-UHFFFAOYSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-phenothiazine?
The IUPAC name of 2-(trifluoromethyl)-1H-phenothiazine (CID 71334002) is 2-(trifluoromethyl)-1H-phenothiazine.
What is the SMILES notation for 2-(trifluoromethyl)-1H-phenothiazine?
The canonical SMILES for 2-(trifluoromethyl)-1H-phenothiazine is FC(F)(F)C1=CC=C2Sc3ccccc3N=C2C1.
What is the InChIKey of 2-(trifluoromethyl)-1H-phenothiazine?
The InChIKey is ZUPBRAFYYASUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-6H,7H2.
What are the key properties of 2-(trifluoromethyl)-1H-phenothiazine?
2-(trifluoromethyl)-1H-phenothiazine has a molecular weight of 267.28 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-phenothiazine is sourced from PubChem (CID 71334002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).