2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one

C15H9F2NO3S — CID 15717140

IUPAC2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one
SMILESO=C1NS(=O)(=O)CC12c1cc(F)ccc1-c1ccc(F)cc12
InChIInChI=1S/C15H9F2NO3S/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)7-22(20,21)18-14(15)19/h1-6H,7H2,(H,18,19)
InChIKeyDRGMQNAKYOITLD-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.69
Rot. Bonds

About 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one

2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one (PubChem CID 15717140) has the molecular formula C15H9F2NO3S and a molecular weight of 321.30 g/mol. Its IUPAC name is 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one.

Molecular Properties

Compound Name2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one
PubChem CID15717140
Molecular FormulaC15H9F2NO3S
Molecular Weight321.30 g/mol
Exact Mass321.03
IUPAC Name2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one
SMILESO=C1NS(=O)(=O)CC12c1cc(F)ccc1-c1ccc(F)cc12
InChIInChI=1S/C15H9F2NO3S/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)7-22(20,21)18-14(15)19/h1-6H,7H2,(H,18,19)
InChIKeyDRGMQNAKYOITLD-UHFFFAOYSA-N
XLogP1.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one?
The IUPAC name of 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one (CID 15717140) is 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one.
What is the SMILES notation for 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one?
The canonical SMILES for 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one is O=C1NS(=O)(=O)CC12c1cc(F)ccc1-c1ccc(F)cc12.
What is the InChIKey of 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one?
The InChIKey is DRGMQNAKYOITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3S/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)7-22(20,21)18-14(15)19/h1-6H,7H2,(H,18,19).
What are the key properties of 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one?
2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one has a molecular weight of 321.30 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one is sourced from PubChem (CID 15717140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).