2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone

C20H14FNO2S — CID 1069886

IUPAC2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone
SMILESO=C(COc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H14FNO2S/c21-14-9-11-15(12-10-14)24-13-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
InChIKeyKQBXNDSXVRSBCO-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.03
Rot. Bonds3

About 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone

2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone (PubChem CID 1069886) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone
PubChem CID1069886
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone
SMILESO=C(COc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H14FNO2S/c21-14-9-11-15(12-10-14)24-13-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
InChIKeyKQBXNDSXVRSBCO-UHFFFAOYSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone (CID 1069886) is 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone is O=C(COc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone?
The InChIKey is KQBXNDSXVRSBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c21-14-9-11-15(12-10-14)24-13-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2.
What are the key properties of 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone?
2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone has a molecular weight of 351.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 1069886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).