3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide

C13H8F3NO2S — CID 71398593

IUPAC3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H8F3NO2S/c14-13(15,16)8-5-6-10-12(7-8)20(18,19)11-4-2-1-3-9(11)17-10/h1-7,17H
InChIKeyHDKWQTPDCMCPOD-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.60
Rot. Bonds

About 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide

3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide (PubChem CID 71398593) has the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide
PubChem CID71398593
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Exact Mass299.02
IUPAC Name3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H8F3NO2S/c14-13(15,16)8-5-6-10-12(7-8)20(18,19)11-4-2-1-3-9(11)17-10/h1-7,17H
InChIKeyHDKWQTPDCMCPOD-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide?
The IUPAC name of 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide (CID 71398593) is 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide.
What is the SMILES notation for 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide?
The canonical SMILES for 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide?
The InChIKey is HDKWQTPDCMCPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2S/c14-13(15,16)8-5-6-10-12(7-8)20(18,19)11-4-2-1-3-9(11)17-10/h1-7,17H.
What are the key properties of 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide?
3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide has a molecular weight of 299.27 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-10H-phenothiazine 5,5-dioxide is sourced from PubChem (CID 71398593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).