7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide

C17H16F3NO2S — CID 121258319

IUPAC7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)c1ccc(C)cc1N2CC(F)(F)F
InChIInChI=1S/C17H16F3NO2S/c1-3-12-5-6-13-16(9-12)24(22,23)15-7-4-11(2)8-14(15)21(13)10-17(18,19)20/h4-9H,3,10H2,1-2H3
InChIKeyAXNFOCDEHVZRHM-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.40
Rot. Bonds2

About 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide

7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide (PubChem CID 121258319) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide
PubChem CID121258319
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)c1ccc(C)cc1N2CC(F)(F)F
InChIInChI=1S/C17H16F3NO2S/c1-3-12-5-6-13-16(9-12)24(22,23)15-7-4-11(2)8-14(15)21(13)10-17(18,19)20/h4-9H,3,10H2,1-2H3
InChIKeyAXNFOCDEHVZRHM-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide?
The IUPAC name of 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide (CID 121258319) is 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide.
What is the SMILES notation for 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide?
The canonical SMILES for 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide is CCc1ccc2c(c1)S(=O)(=O)c1ccc(C)cc1N2CC(F)(F)F.
What is the InChIKey of 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide?
The InChIKey is AXNFOCDEHVZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-3-12-5-6-13-16(9-12)24(22,23)15-7-4-11(2)8-14(15)21(13)10-17(18,19)20/h4-9H,3,10H2,1-2H3.
What are the key properties of 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide?
7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide has a molecular weight of 355.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)phenothiazine 5,5-dioxide is sourced from PubChem (CID 121258319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).