1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H14F2N2O2 — CID 82924183

IUPAC1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCCC2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2/c15-10-4-3-9(7-11(10)16)8-18-13(20)17-12(19)14(18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19,20)
InChIKeyMNDSZVUFDFVGNN-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.33
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 82924183) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID82924183
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCCC2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2/c15-10-4-3-9(7-11(10)16)8-18-13(20)17-12(19)14(18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19,20)
InChIKeyMNDSZVUFDFVGNN-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 82924183) is 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCCC2)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MNDSZVUFDFVGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c15-10-4-3-9(7-11(10)16)8-18-13(20)17-12(19)14(18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19,20).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 280.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 82924183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).