1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one

C8H17FN2O2Si — CID 174236462

IUPAC1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one
SMILESCC(CCN1CCNC1=O)[SiH](F)CO
InChIInChI=1S/C8H17FN2O2Si/c1-7(14(9)6-12)2-4-11-5-3-10-8(11)13/h7,12,14H,2-6H2,1H3,(H,10,13)
InChIKeyPDUYYSAXFXNEEM-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.02
Rot. Bonds5

About 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one

1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one (PubChem CID 174236462) has the molecular formula C8H17FN2O2Si and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one
PubChem CID174236462
Molecular FormulaC8H17FN2O2Si
Molecular Weight220.32 g/mol
Exact Mass220.10
IUPAC Name1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one
SMILESCC(CCN1CCNC1=O)[SiH](F)CO
InChIInChI=1S/C8H17FN2O2Si/c1-7(14(9)6-12)2-4-11-5-3-10-8(11)13/h7,12,14H,2-6H2,1H3,(H,10,13)
InChIKeyPDUYYSAXFXNEEM-UHFFFAOYSA-N
XLogP0.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one (CID 174236462) is 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one is CC(CCN1CCNC1=O)[SiH](F)CO.
What is the InChIKey of 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one?
The InChIKey is PDUYYSAXFXNEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2Si/c1-7(14(9)6-12)2-4-11-5-3-10-8(11)13/h7,12,14H,2-6H2,1H3,(H,10,13).
What are the key properties of 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one?
1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one has a molecular weight of 220.32 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[fluoro(hydroxymethyl)silyl]butyl]imidazolidin-2-one is sourced from PubChem (CID 174236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).