6-fluoro-2-propan-2-ylthioxanthen-9-one

C16H13FOS — CID 620918

IUPAC6-fluoro-2-propan-2-ylthioxanthen-9-one
SMILESCC(C)c1ccc2sc3cc(F)ccc3c(=O)c2c1
InChIInChI=1S/C16H13FOS/c1-9(2)10-3-6-14-13(7-10)16(18)12-5-4-11(17)8-15(12)19-14/h3-9H,1-2H3
InChIKeyGRHJEVGZPCKOAF-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.68
Rot. Bonds1

About 6-fluoro-2-propan-2-ylthioxanthen-9-one

6-fluoro-2-propan-2-ylthioxanthen-9-one (PubChem CID 620918) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-ylthioxanthen-9-one.

Molecular Properties

Compound Name6-fluoro-2-propan-2-ylthioxanthen-9-one
PubChem CID620918
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name6-fluoro-2-propan-2-ylthioxanthen-9-one
SMILESCC(C)c1ccc2sc3cc(F)ccc3c(=O)c2c1
InChIInChI=1S/C16H13FOS/c1-9(2)10-3-6-14-13(7-10)16(18)12-5-4-11(17)8-15(12)19-14/h3-9H,1-2H3
InChIKeyGRHJEVGZPCKOAF-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propan-2-ylthioxanthen-9-one?
The IUPAC name of 6-fluoro-2-propan-2-ylthioxanthen-9-one (CID 620918) is 6-fluoro-2-propan-2-ylthioxanthen-9-one.
What is the SMILES notation for 6-fluoro-2-propan-2-ylthioxanthen-9-one?
The canonical SMILES for 6-fluoro-2-propan-2-ylthioxanthen-9-one is CC(C)c1ccc2sc3cc(F)ccc3c(=O)c2c1.
What is the InChIKey of 6-fluoro-2-propan-2-ylthioxanthen-9-one?
The InChIKey is GRHJEVGZPCKOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FOS/c1-9(2)10-3-6-14-13(7-10)16(18)12-5-4-11(17)8-15(12)19-14/h3-9H,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-ylthioxanthen-9-one?
6-fluoro-2-propan-2-ylthioxanthen-9-one has a molecular weight of 272.34 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-ylthioxanthen-9-one is sourced from PubChem (CID 620918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).