2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone

C19H17F3N2O2S — CID 1114021

IUPAC2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
SMILESO=C(CN1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)13-5-6-17-15(11-13)24(14-3-1-2-4-16(14)27-17)18(25)12-23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
InChIKeyXGYDCLWGOJDFGU-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.17
Rot. Bonds2

About 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone

2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone (PubChem CID 1114021) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
PubChem CID1114021
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
SMILESO=C(CN1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)13-5-6-17-15(11-13)24(14-3-1-2-4-16(14)27-17)18(25)12-23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
InChIKeyXGYDCLWGOJDFGU-UHFFFAOYSA-N
XLogP4.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone (CID 1114021) is 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone is O=C(CN1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
The InChIKey is XGYDCLWGOJDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c20-19(21,22)13-5-6-17-15(11-13)24(14-3-1-2-4-16(14)27-17)18(25)12-23-7-9-26-10-8-23/h1-6,11H,7-10,12H2.
What are the key properties of 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone?
2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone has a molecular weight of 394.42 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone is sourced from PubChem (CID 1114021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).