fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate

C15H6ClFO4S — CID 166804527

IUPACfluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate
SMILESO=C(COc1ccc(Cl)c2c(=O)c3c#cccc3sc12)OF
InChIInChI=1S/C15H6ClFO4S/c16-9-5-6-10(20-7-12(18)21-17)15-13(9)14(19)8-3-1-2-4-11(8)22-15/h2,4-6H,7H2
InChIKeyPKAAMGYUASHHGC-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.47
Rot. Bonds3

About fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate

fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate (PubChem CID 166804527) has the molecular formula C15H6ClFO4S and a molecular weight of 336.73 g/mol. Its IUPAC name is fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate.

Molecular Properties

Compound Namefluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate
PubChem CID166804527
Molecular FormulaC15H6ClFO4S
Molecular Weight336.73 g/mol
Exact Mass335.97
IUPAC Namefluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate
SMILESO=C(COc1ccc(Cl)c2c(=O)c3c#cccc3sc12)OF
InChIInChI=1S/C15H6ClFO4S/c16-9-5-6-10(20-7-12(18)21-17)15-13(9)14(19)8-3-1-2-4-11(8)22-15/h2,4-6H,7H2
InChIKeyPKAAMGYUASHHGC-UHFFFAOYSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate?
The IUPAC name of fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate (CID 166804527) is fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate.
What is the SMILES notation for fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate?
The canonical SMILES for fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate is O=C(COc1ccc(Cl)c2c(=O)c3c#cccc3sc12)OF.
What is the InChIKey of fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate?
The InChIKey is PKAAMGYUASHHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClFO4S/c16-9-5-6-10(20-7-12(18)21-17)15-13(9)14(19)8-3-1-2-4-11(8)22-15/h2,4-6H,7H2.
What are the key properties of fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate?
fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate has a molecular weight of 336.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(1-chloro-9-oxo-7,8-didehydrothioxanthen-4-yl)oxy]acetate is sourced from PubChem (CID 166804527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).