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

C14H10F3NOS — CID 72700036

IUPAC2-methoxy-7-(trifluoromethyl)-10H-phenothiazine
SMILESCOc1ccc2c(c1)Nc1ccc(C(F)(F)F)cc1S2
InChIInChI=1S/C14H10F3NOS/c1-19-9-3-5-12-11(7-9)18-10-4-2-8(14(15,16)17)6-13(10)20-12/h2-7,18H,1H3
InChIKeyWFFGBHHXYBXDAC-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.92
Rot. Bonds1

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

2-methoxy-7-(trifluoromethyl)-10H-phenothiazine (PubChem CID 72700036) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine.

Molecular Properties

Compound Name2-methoxy-7-(trifluoromethyl)-10H-phenothiazine
PubChem CID72700036
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name2-methoxy-7-(trifluoromethyl)-10H-phenothiazine
SMILESCOc1ccc2c(c1)Nc1ccc(C(F)(F)F)cc1S2
InChIInChI=1S/C14H10F3NOS/c1-19-9-3-5-12-11(7-9)18-10-4-2-8(14(15,16)17)6-13(10)20-12/h2-7,18H,1H3
InChIKeyWFFGBHHXYBXDAC-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 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine?
The IUPAC name of 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine (CID 72700036) is 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine.
What is the SMILES notation for 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine?
The canonical SMILES for 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine is COc1ccc2c(c1)Nc1ccc(C(F)(F)F)cc1S2.
What is the InChIKey of 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine?
The InChIKey is WFFGBHHXYBXDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c1-19-9-3-5-12-11(7-9)18-10-4-2-8(14(15,16)17)6-13(10)20-12/h2-7,18H,1H3.
What are the key properties of 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine?
2-methoxy-7-(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 2-methoxy-7-(trifluoromethyl)-10H-phenothiazine is sourced from PubChem (CID 72700036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).