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

C8H17FN2O3Si — CID 166544772

IUPAC1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one
SMILESCCC(CCN1CCNC1=O)[Si](O)(O)F
InChIInChI=1S/C8H17FN2O3Si/c1-2-7(15(9,13)14)3-5-11-6-4-10-8(11)12/h7,13-14H,2-6H2,1H3,(H,10,12)
InChIKeyGZYXBCRUEPKUHU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.07
Rot. Bonds5

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

1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one (PubChem CID 166544772) has the molecular formula C8H17FN2O3Si and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one
PubChem CID166544772
Molecular FormulaC8H17FN2O3Si
Molecular Weight236.32 g/mol
Exact Mass236.10
IUPAC Name1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one
SMILESCCC(CCN1CCNC1=O)[Si](O)(O)F
InChIInChI=1S/C8H17FN2O3Si/c1-2-7(15(9,13)14)3-5-11-6-4-10-8(11)12/h7,13-14H,2-6H2,1H3,(H,10,12)
InChIKeyGZYXBCRUEPKUHU-UHFFFAOYSA-N
XLogP0.07
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.07
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]pentyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one (CID 166544772) is 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one is CCC(CCN1CCNC1=O)[Si](O)(O)F.
What is the InChIKey of 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one?
The InChIKey is GZYXBCRUEPKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O3Si/c1-2-7(15(9,13)14)3-5-11-6-4-10-8(11)12/h7,13-14H,2-6H2,1H3,(H,10,12).
What are the key properties of 1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one?
1-[3-[fluoro(dihydroxy)silyl]pentyl]imidazolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.07, 5 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]pentyl]imidazolidin-2-one is sourced from PubChem (CID 166544772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).