7-methoxy-2-(trifluoromethyl)-10H-phenothiazine

C14H10F3NOS — CID 71402898

IUPAC7-methoxy-2-(trifluoromethyl)-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1ccc(C(F)(F)F)cc1N2
InChIInChI=1S/C14H10F3NOS/c1-19-9-3-4-10-13(7-9)20-12-5-2-8(14(15,16)17)6-11(12)18-10/h2-7,18H,1H3
InChIKeyZZPLFRDQLGPMQW-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.92
Rot. Bonds1

About 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine

7-methoxy-2-(trifluoromethyl)-10H-phenothiazine (PubChem CID 71402898) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine.

Molecular Properties

Compound Name7-methoxy-2-(trifluoromethyl)-10H-phenothiazine
PubChem CID71402898
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name7-methoxy-2-(trifluoromethyl)-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1ccc(C(F)(F)F)cc1N2
InChIInChI=1S/C14H10F3NOS/c1-19-9-3-4-10-13(7-9)20-12-5-2-8(14(15,16)17)6-11(12)18-10/h2-7,18H,1H3
InChIKeyZZPLFRDQLGPMQW-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine?
The IUPAC name of 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine (CID 71402898) is 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine.
What is the SMILES notation for 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine?
The canonical SMILES for 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine is COc1ccc2c(c1)Sc1ccc(C(F)(F)F)cc1N2.
What is the InChIKey of 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine?
The InChIKey is ZZPLFRDQLGPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c1-19-9-3-4-10-13(7-9)20-12-5-2-8(14(15,16)17)6-11(12)18-10/h2-7,18H,1H3.
What are the key properties of 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine?
7-methoxy-2-(trifluoromethyl)-10H-phenothiazine has a molecular weight of 297.30 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(trifluoromethyl)-10H-phenothiazine is sourced from PubChem (CID 71402898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).