1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one

C11H22F2N2O2Si — CID 166544759

IUPAC1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one
SMILESCCCCCC(CCN1CCNC1=O)[Si](O)(F)F
InChIInChI=1S/C11H22F2N2O2Si/c1-2-3-4-5-10(18(12,13)17)6-8-15-9-7-14-11(15)16/h10,17H,2-9H2,1H3,(H,14,16)
InChIKeyWWHGZXNSLDFUBU-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.22
Rot. Bonds8

About 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one

1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one (PubChem CID 166544759) has the molecular formula C11H22F2N2O2Si and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one
PubChem CID166544759
Molecular FormulaC11H22F2N2O2Si
Molecular Weight280.39 g/mol
Exact Mass280.14
IUPAC Name1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one
SMILESCCCCCC(CCN1CCNC1=O)[Si](O)(F)F
InChIInChI=1S/C11H22F2N2O2Si/c1-2-3-4-5-10(18(12,13)17)6-8-15-9-7-14-11(15)16/h10,17H,2-9H2,1H3,(H,14,16)
InChIKeyWWHGZXNSLDFUBU-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one (CID 166544759) is 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one is CCCCCC(CCN1CCNC1=O)[Si](O)(F)F.
What is the InChIKey of 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one?
The InChIKey is WWHGZXNSLDFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2Si/c1-2-3-4-5-10(18(12,13)17)6-8-15-9-7-14-11(15)16/h10,17H,2-9H2,1H3,(H,14,16).
What are the key properties of 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one?
1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one has a molecular weight of 280.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[difluoro(hydroxy)silyl]octyl]imidazolidin-2-one is sourced from PubChem (CID 166544759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).