1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one

C9H19FN2O3Si — CID 166544734

IUPAC1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one
SMILESCCCC(CCN1CCNC1=O)[Si](O)(O)F
InChIInChI=1S/C9H19FN2O3Si/c1-2-3-8(16(10,14)15)4-6-12-7-5-11-9(12)13/h8,14-15H,2-7H2,1H3,(H,11,13)
InChIKeyAHPHPLNAYRJWEW-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.47
Rot. Bonds6

About 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one

1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one (PubChem CID 166544734) has the molecular formula C9H19FN2O3Si and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one
PubChem CID166544734
Molecular FormulaC9H19FN2O3Si
Molecular Weight250.35 g/mol
Exact Mass250.11
IUPAC Name1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one
SMILESCCCC(CCN1CCNC1=O)[Si](O)(O)F
InChIInChI=1S/C9H19FN2O3Si/c1-2-3-8(16(10,14)15)4-6-12-7-5-11-9(12)13/h8,14-15H,2-7H2,1H3,(H,11,13)
InChIKeyAHPHPLNAYRJWEW-UHFFFAOYSA-N
XLogP0.47
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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(dihydroxy)silyl]hexyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one (CID 166544734) is 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one is CCCC(CCN1CCNC1=O)[Si](O)(O)F.
What is the InChIKey of 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one?
The InChIKey is AHPHPLNAYRJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O3Si/c1-2-3-8(16(10,14)15)4-6-12-7-5-11-9(12)13/h8,14-15H,2-7H2,1H3,(H,11,13).
What are the key properties of 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one?
1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[fluoro(dihydroxy)silyl]hexyl]imidazolidin-2-one is sourced from PubChem (CID 166544734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).