7-fluoro-2-methoxy-10H-phenothiazine

C13H10FNOS — CID 13153678

IUPAC7-fluoro-2-methoxy-10H-phenothiazine
SMILESCOc1ccc2c(c1)Nc1ccc(F)cc1S2
InChIInChI=1S/C13H10FNOS/c1-16-9-3-5-12-11(7-9)15-10-4-2-8(14)6-13(10)17-12/h2-7,15H,1H3
InChIKeyBESPCDLYAANOFH-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.04
Rot. Bonds1

About 7-fluoro-2-methoxy-10H-phenothiazine

7-fluoro-2-methoxy-10H-phenothiazine (PubChem CID 13153678) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-10H-phenothiazine.

Molecular Properties

Compound Name7-fluoro-2-methoxy-10H-phenothiazine
PubChem CID13153678
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name7-fluoro-2-methoxy-10H-phenothiazine
SMILESCOc1ccc2c(c1)Nc1ccc(F)cc1S2
InChIInChI=1S/C13H10FNOS/c1-16-9-3-5-12-11(7-9)15-10-4-2-8(14)6-13(10)17-12/h2-7,15H,1H3
InChIKeyBESPCDLYAANOFH-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-10H-phenothiazine?
The IUPAC name of 7-fluoro-2-methoxy-10H-phenothiazine (CID 13153678) is 7-fluoro-2-methoxy-10H-phenothiazine.
What is the SMILES notation for 7-fluoro-2-methoxy-10H-phenothiazine?
The canonical SMILES for 7-fluoro-2-methoxy-10H-phenothiazine is COc1ccc2c(c1)Nc1ccc(F)cc1S2.
What is the InChIKey of 7-fluoro-2-methoxy-10H-phenothiazine?
The InChIKey is BESPCDLYAANOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c1-16-9-3-5-12-11(7-9)15-10-4-2-8(14)6-13(10)17-12/h2-7,15H,1H3.
What are the key properties of 7-fluoro-2-methoxy-10H-phenothiazine?
7-fluoro-2-methoxy-10H-phenothiazine has a molecular weight of 247.29 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-10H-phenothiazine is sourced from PubChem (CID 13153678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).