8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C23H22F2N2O4 — CID 118366514

IUPAC8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2ccccc2CO)cc1
InChIInChI=1S/C23H22F2N2O4/c24-23(25)11-9-22(10-12-23)20(30)27(21(31)26-22)13-19(29)16-7-5-15(6-8-16)18-4-2-1-3-17(18)14-28/h1-8,28H,9-14H2,(H,26,31)
InChIKeyKHKWPZRMCRYPBK-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.53
Rot. Bonds5

About 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 118366514) has the molecular formula C23H22F2N2O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID118366514
Molecular FormulaC23H22F2N2O4
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2ccccc2CO)cc1
InChIInChI=1S/C23H22F2N2O4/c24-23(25)11-9-22(10-12-23)20(30)27(21(31)26-22)13-19(29)16-7-5-15(6-8-16)18-4-2-1-3-17(18)14-28/h1-8,28H,9-14H2,(H,26,31)
InChIKeyKHKWPZRMCRYPBK-UHFFFAOYSA-N
XLogP3.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 118366514) is 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2ccccc2CO)cc1.
What is the InChIKey of 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KHKWPZRMCRYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4/c24-23(25)11-9-22(10-12-23)20(30)27(21(31)26-22)13-19(29)16-7-5-15(6-8-16)18-4-2-1-3-17(18)14-28/h1-8,28H,9-14H2,(H,26,31).
What are the key properties of 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 428.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-[2-[4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118366514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).