3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione

C19H14F4N2O4 — CID 19890131

IUPAC3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESO=C1C(F)C(F)C2(C(F)C(F)C(=O)N2c2cccc(O)c2)N1c1cccc(O)c1
InChIInChI=1S/C19H14F4N2O4/c20-13-15(22)19(24(17(13)28)9-3-1-5-11(26)7-9)16(23)14(21)18(29)25(19)10-4-2-6-12(27)8-10/h1-8,13-16,26-27H
InChIKeyXSHAZEZVFIPYRY-UHFFFAOYSA-N
MW410.32 g/mol
LogP2.54
Rot. Bonds2

About 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione

3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione (PubChem CID 19890131) has the molecular formula C19H14F4N2O4 and a molecular weight of 410.32 g/mol. Its IUPAC name is 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
PubChem CID19890131
Molecular FormulaC19H14F4N2O4
Molecular Weight410.32 g/mol
Exact Mass410.09
IUPAC Name3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESO=C1C(F)C(F)C2(C(F)C(F)C(=O)N2c2cccc(O)c2)N1c1cccc(O)c1
InChIInChI=1S/C19H14F4N2O4/c20-13-15(22)19(24(17(13)28)9-3-1-5-11(26)7-9)16(23)14(21)18(29)25(19)10-4-2-6-12(27)8-10/h1-8,13-16,26-27H
InChIKeyXSHAZEZVFIPYRY-UHFFFAOYSA-N
XLogP2.54
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione (CID 19890131) is 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione is O=C1C(F)C(F)C2(C(F)C(F)C(=O)N2c2cccc(O)c2)N1c1cccc(O)c1.
What is the InChIKey of 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
The InChIKey is XSHAZEZVFIPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O4/c20-13-15(22)19(24(17(13)28)9-3-1-5-11(26)7-9)16(23)14(21)18(29)25(19)10-4-2-6-12(27)8-10/h1-8,13-16,26-27H.
What are the key properties of 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione has a molecular weight of 410.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,9-tetrafluoro-1,6-bis(3-hydroxyphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 19890131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).